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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxamide Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-18-7-12-23(33-2)22(15-18)28-17-19(16-24(28)29)25(30)26-20-8-10-21(11-9-20)34(31,32)27-13-5-3-4-6-14-27/h7-12,15,19H,3-6,13-14,16-17H2,1-2H3,(H,26,30)