N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylphenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4S/c1-20-10-11-21(2)25(18-20)35(33,34)28-24-9-7-8-23(19-24)27(32)30-16-12-22(13-17-30)26(31)29-14-5-3-4-6-15-29/h7-11,18-19,22,28H,3-6,12-17H2,1-2H3