N-[3-(azepan-1-ylcarbonyl)-4-piperazin-1-yl-phenyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-4-piperazin-1-yl-phenyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[3-(azepane-1-carbonyl)-4-piperazin-1-yl-phenyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-4-(1-piperazinyl)phenyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-(azepane-1-carbonyl)-4-piperazin-1-ylphenyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[3-(azepane-1-carbonyl)-4-piperazino-phenyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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