7-[(1R)-2-[2-[3-[2-(2-chlorophenyl)ethylamino]propylsulfanyl]ethylamino]-1-oxidanyl-ethyl]-4-oxidanyl-3H-1,3-benzothiazol-2-one; hexanedioic acid

Systemtic Name: 7-[(1R)-2-[2-[3-[2-(2-chlorophenyl)ethylamino]propylsulfanyl]ethylamino]-1-oxidanyl-ethyl]-4-oxidanyl-3H-1,3-benzothiazol-2-one; hexanedioic acid Openeye Name: adipic acid; 7-[(1R)-2-[2-[3-[2-(2-chlorophenyl)ethylamino]propylsulfanyl]ethylamino]-1-hydroxy-ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one CAS Name: 7-[(1R)-2-[2-[3-[2-(2-chlorophenyl)ethylamino]propylthio]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one; hexanedioic acid IUPAC Name: 7-[(1R)-2-[2-[3-[2-(2-chlorophenyl)ethylamino]propylsulfanyl]ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one; hexanedioic acid Traditional Name: adipic acid; 7-[(1R)-2-[2-[3-[2-(2-chlorophenyl)ethylamino]propylthio]ethylamino]-1-hydroxy-ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one Formula: C28H38ClN3O7S2 MolecularWeight: 628.20022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCNCCCSCCNCC(C2=C3C(=C(C=C2)O)NC(=O)S3)O)Cl.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCNCCCSCCNC[C@@H](C2=C3C(=C(C=C2)O)NC(=O)S3)O)Cl.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C22H28ClN3O3S2.C6H10O4/c23-17-5-2-1-4-15(17)8-10-24-9-3-12-30-13-11-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20;7-5(8)3-1-2-4-6(9)10/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29);1-4H2,(H,7,8)(H,9,10)/t19-;/m0./s1