N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-methyl-benzenesulfonamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O4S/c1-20-9-11-24(12-10-20)34(32,33)27-23-8-6-7-22(19-23)26(31)29-17-13-21(14-18-29)25(30)28-15-4-2-3-5-16-28/h6-12,19,21,27H,2-5,13-18H2,1H3