N-cyclohexyl-N-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-cyclohexyl-N-methyl-benzenesulfonamide CAS Name: N-cyclohexyl-N-methyl-4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide Traditional Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-cyclohexyl-N-methyl-benzenesulfonamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3S/c1-27(24-11-6-3-7-12-24)33(31,32)25-15-13-23(14-16-25)26(30)29-18-8-17-28(19-20-29)21-22-9-4-2-5-10-22/h2,4-5,9-10,13-16,24H,3,6-8,11-12,17-21H2,1H3