[4-[5-(4-aminocarbonyl-4-phenyl-piperidin-1-yl)carbonyl-2-(2-chlorophenyl)thiophen-3-yl]phenyl] propane-1-sulfonate

Systemtic Name: [4-[5-(4-aminocarbonyl-4-phenyl-piperidin-1-yl)carbonyl-2-(2-chlorophenyl)thiophen-3-yl]phenyl] propane-1-sulfonate Openeye Name: [4-[5-(4-carbamoyl-4-phenyl-piperidine-1-carbonyl)-2-(2-chlorophenyl)-3-thienyl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-[5-(4-carbamoyl-4-phenylpiperidine-1-carbonyl)-2-(2-chlorophenyl)thiophen-3-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-[5-(4-carbamoyl-4-phenyl-piperidine-1-carbonyl)-2-(2-chlorophenyl)-3-thienyl]phenyl] ester Formula: C32H31ClN2O5S2 MolecularWeight: 623.18194

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(SC(=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5Cl

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(SC(=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5Cl

InChI

InChI=1S/C32H31ClN2O5S2/c1-2-20-42(38,39)40-24-14-12-22(13-15-24)26-21-28(41-29(26)25-10-6-7-11-27(25)33)30(36)35-18-16-32(17-19-35,31(34)37)23-8-4-3-5-9-23/h3-15,21H,2,16-20H2,1H3,(H2,34,37)