(3S)-5-oxidanylidene-1-phenethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-5-oxidanylidene-1-phenethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-5-oxo-1-phenethyl-N-[4-(1-piperidylsulfonyl)phenyl]pyrrolidine-3-carboxamide CAS Name: (3S)-5-oxo-1-phenethyl-N-[4-(1-piperidinylsulfonyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-5-oxo-1-phenethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-1-phenethyl-N-(4-piperidinosulfonylphenyl)pyrrolidine-3-carboxamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S/c28-23-17-20(18-26(23)16-13-19-7-3-1-4-8-19)24(29)25-21-9-11-22(12-10-21)32(30,31)27-14-5-2-6-15-27/h1,3-4,7-12,20H,2,5-6,13-18H2,(H,25,29)/t20-/m0/s1