(3R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-2-19-7-11-22(12-8-19)28-18-20(17-24(28)29)25(30)26-21-9-13-23(14-10-21)33(31,32)27-15-5-3-4-6-16-27/h7-14,20H,2-6,15-18H2,1H3,(H,26,30)/t20-/m1/s1