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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(4-methyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-methylpiperazino)phenyl]benzamide Formula: C24H31ClN4O3S MolecularWeight: 491.04594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O3S/c1-27-14-16-28(17-15-27)22-9-5-4-8-21(22)26-24(30)19-10-11-20(25)23(18-19)33(31,32)29-12-6-2-3-7-13-29/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,26,30)