(2S)-1-[(2R)-2-cyclohexyl-2-[(phenylmethyl)sulfonylamino]ethanoyl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-cyclohexyl-2-[(phenylmethyl)sulfonylamino]ethanoyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-(benzylsulfonylamino)-2-cyclohexyl-acetyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-cyclohexyl-1-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-(benzylsulfonylamino)-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-(benzylsulfonylamino)-2-cyclohexyl-acetyl]-N-methyl-pyrrolidine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCCN1C(=O)C(C2CCCCC2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C2CCCCC2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c1-22-20(25)18-13-8-14-24(18)21(26)19(17-11-6-3-7-12-17)23-29(27,28)15-16-9-4-2-5-10-16/h2,4-5,9-10,17-19,23H,3,6-8,11-15H2,1H3,(H,22,25)/t18-,19+/m0/s1