N-cyclohexyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide

Systemtic Name: N-cyclohexyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide Openeye Name: N-cyclohexyl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: N-cyclohexyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-methylbenzenesulfonamide IUPAC Name: N-cyclohexyl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide Traditional Name: N-cyclohexyl-N-methyl-3-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4S/c1-28(24-9-4-3-5-10-24)35(32,33)26-11-6-8-23(20-26)27(31)30-17-7-16-29(18-19-30)21-22-12-14-25(34-2)15-13-22/h6,8,11-15,20,24H,3-5,7,9-10,16-19,21H2,1-2H3