benzenesulfonic acid; (phenylmethyl) 4-phenyl-4-(pyrrolidin-1-ylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: benzenesulfonic acid; (phenylmethyl) 4-phenyl-4-(pyrrolidin-1-ylcarbamoyl)piperidine-1-carboxylate Openeye Name: benzenesulfonic acid; benzyl 4-phenyl-4-(pyrrolidin-1-ylcarbamoyl)piperidine-1-carboxylate CAS Name: benzenesulfonic acid; 4-[oxo-(1-pyrrolidinylamino)methyl]-4-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzenesulfonic acid; benzyl 4-phenyl-4-(pyrrolidin-1-ylcarbamoyl)piperidine-1-carboxylate Traditional Name: besylic acid; 4-phenyl-4-(pyrrolidinocarbamoyl)piperidine-1-carboxylic acid benzyl ester Formula: C30H35N3O6S MolecularWeight: 565.6804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=O)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)NC(=O)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H29N3O3.C6H6O3S/c28-22(25-27-15-7-8-16-27)24(21-11-5-2-6-12-21)13-17-26(18-14-24)23(29)30-19-20-9-3-1-4-10-20;7-10(8,9)6-4-2-1-3-5-6/h1-6,9-12H,7-8,13-19H2,(H,25,28);1-5H,(H,7,8,9)