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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H31N3O5S/c1-18-7-9-20(10-8-18)28-17-19(15-24(28)29)25(30)26-22-16-21(11-12-23(22)33-2)34(31,32)27-13-5-3-4-6-14-27/h7-12,16,19H,3-6,13-15,17H2,1-2H3,(H,26,30)/t19-/m0/s1