N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[(2-ketopyrrolidino)methyl]benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCCC3=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3CCCC3=O)S(=O)(=O)N4CCCCCC4

InChI

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