(3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylsulfonylphenyl)sulfonylamino]piperidine-3-carboxamide

Systemtic Name: (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylsulfonylphenyl)sulfonylamino]piperidine-3-carboxamide Openeye Name: (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylsulfonylphenyl)sulfonylamino]piperidine-3-carboxamide CAS Name: (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylsulfonylphenyl)sulfonylamino]-3-piperidinecarboxamide IUPAC Name: (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylsulfonylphenyl)sulfonylamino]piperidine-3-carboxamide Traditional Name: (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-mesylphenyl)sulfonylamino]nipecotamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC(CNC2)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S2/c1-36(32,33)24-12-14-25(15-13-24)37(34,35)30-23-16-22(17-28-18-23)27(31)29-19-26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22-23,26,28,30H,16-19H2,1H3,(H,29,31)/t22-,23+/m0/s1