5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N,2,3-trimethyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N,2,3-trimethyl-benzenesulfonamide Openeye Name: 5-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N,2,3-trimethyl-benzenesulfonamide CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N,2,3-trimethylbenzenesulfonamide IUPAC Name: 5-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-N,2,3-trimethylbenzenesulfonamide Traditional Name: N,2,3-trimethyl-5-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)NC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)NC)C

InChI

InChI=1S/C23H31N3O4S/c1-17-14-20(15-22(18(17)2)31(28,29)24-3)23(27)26-11-5-10-25(12-13-26)16-19-6-8-21(30-4)9-7-19/h6-9,14-15,24H,5,10-13,16H2,1-4H3