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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[2-(4-methyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-(4-methylpiperazino)phenyl]benzamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O4S/c1-27-15-17-28(18-16-27)22-10-6-5-9-21(22)26-25(30)20-11-12-23(33-2)24(19-20)34(31,32)29-13-7-3-4-8-14-29/h5-6,9-12,19H,3-4,7-8,13-18H2,1-2H3,(H,26,30)