(3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-[3-(1-azepanylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-19-9-11-20(12-10-19)17-27-18-21(15-24(27)29)25(30)26-22-7-6-8-23(16-22)33(31,32)28-13-4-2-3-5-14-28/h6-12,16,21H,2-5,13-15,17-18H2,1H3,(H,26,30)/t21-/m0/s1