N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(m-tolyl)piperazin-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[4-(3-methylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(m-tolyl)piperazino]acetamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-21-8-7-9-24(18-21)29-16-14-28(15-17-29)20-26(31)27-23-11-10-22(2)25(19-23)34(32,33)30-12-5-3-4-6-13-30/h7-11,18-19H,3-6,12-17,20H2,1-2H3,(H,27,31)