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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-4-piperazin-1-yl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(azepane-1-carbonyl)-4-piperazin-1-yl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-4-(1-piperazinyl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(azepane-1-carbonyl)-4-piperazin-1-ylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(azepane-1-carbonyl)-4-piperazino-phenyl]-4-methyl-benzenesulfonamide Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3S/c1-19-6-9-21(10-7-19)32(30,31)26-20-8-11-23(27-16-12-25-13-17-27)22(18-20)24(29)28-14-4-2-3-5-15-28/h6-11,18,25-26H,2-5,12-17H2,1H3