2-[1-[2-[2-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]ethylsulfonyl]ethyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; (E)-but-2-enedioic acid

Systemtic Name: 2-[1-[2-[2-[[2-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-oxidanyl-ethyl]amino]ethylsulfonyl]ethyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; (E)-but-2-enedioic acid Openeye Name: 2-[1-[2-[2-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]ethylsulfonyl]ethyl]-4-piperidyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; fumaric acid CAS Name: 2-[1-[2-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethylsulfonyl]ethyl]-4-piperidinyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; (E)-2-butenedioic acid IUPAC Name: 2-[1-[2-[2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]ethylsulfonyl]ethyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; (E)-but-2-enedioic acid Traditional Name: 2-[1-[2-[2-[[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]amino]ethylsulfonyl]ethyl]-4-piperidyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one; fumaric acid Formula: C37H47Cl2N5O10S MolecularWeight: 824.76758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCS(=O)(=O)CCNCC(C5=CC(=C(C(=C5)Cl)N)Cl)O)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCS(=O)(=O)CCNCC(C5=CC(=C(C(=C5)Cl)N)Cl)O)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C33H43Cl2N5O6S.C4H4O4/c1-45-29-8-7-21(19-30(29)46-2)32-24-5-3-4-6-25(24)33(42)40(38-32)23-9-12-39(13-10-23)14-16-47(43,44)15-11-37-20-28(41)22-17-26(34)31(36)27(35)18-22;5-3(6)1-2-4(7)8/h3-4,7-8,17-19,23-25,28,37,41H,5-6,9-16,20,36H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+