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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-methyl-4-(4-methylpiperazino)phenyl]benzamide Formula: C25H34N4O3S MolecularWeight: 470.62746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O3S/c1-20-18-22(28-16-14-27(2)15-17-28)10-11-24(20)26-25(30)21-8-7-9-23(19-21)33(31,32)29-12-5-3-4-6-13-29/h7-11,18-19H,3-6,12-17H2,1-2H3,(H,26,30)