N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,5-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

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