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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

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