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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]benzamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C26H36N4O3S/c1-3-28-15-17-29(18-16-28)23-11-12-25(21(2)19-23)27-26(31)22-9-8-10-24(20-22)34(32,33)30-13-6-4-5-7-14-30/h8-12,19-20H,3-7,13-18H2,1-2H3,(H,27,31)