[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; naphthalene-1,5-disulfonic acid

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; naphthalene-1,5-disulfonic acid Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(1-piperidylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; naphthalene-1,5-disulfonic acid CAS Name: carbonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-[oxo-(1-piperidinylamino)methyl]-3-pyrazolyl]phenyl] propyl ester; naphthalene-1,5-disulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl] propyl carbonate; naphthalene-1,5-disulfonic acid Traditional Name: carbonic acid [4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidinocarbamoyl)pyrazol-3-yl]phenyl] propyl ester; naphthalene-1,5-disulfonic acid Formula: C62H64Cl4N8O14S2 MolecularWeight: 1351.15876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C.CCCOC(=O)OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CCCOC(=O)OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C.CCCOC(=O)OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/2C26H28Cl2N4O4.C10H8O6S2/c2*1-3-15-35-26(34)36-20-10-7-18(8-11-20)24-17(2)23(25(33)30-31-13-5-4-6-14-31)29-32(24)22-12-9-19(27)16-21(22)28;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*7-12,16H,3-6,13-15H2,1-2H3,(H,30,33);1-6H,(H,11,12,13)(H,14,15,16)