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

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-4-methyl-benzenesulfonamide Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-3-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-16-4-9-19(29(22,26)27)14-20(16)21(25)24-11-3-10-23(12-13-24)15-17-5-7-18(28-2)8-6-17/h4-9,14H,3,10-13,15H2,1-2H3,(H2,22,26,27)