N-[3-(azepan-1-ylcarbonyl)-4-piperazin-1-yl-phenyl]-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-4-piperazin-1-yl-phenyl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[3-(azepane-1-carbonyl)-4-piperazin-1-yl-phenyl]-4-isobutyl-benzenesulfonamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-4-(1-piperazinyl)phenyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[3-(azepane-1-carbonyl)-4-piperazin-1-ylphenyl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[3-(azepane-1-carbonyl)-4-piperazino-phenyl]-4-isobutyl-benzenesulfonamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCNCC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCNCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H38N4O3S/c1-21(2)19-22-7-10-24(11-8-22)35(33,34)29-23-9-12-26(30-17-13-28-14-18-30)25(20-23)27(32)31-15-5-3-4-6-16-31/h7-12,20-21,28-29H,3-6,13-19H2,1-2H3