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

Systemtic Name: N-cyclopropyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-cyclopropyl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-3-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C23H29N3O4S/c1-30-21-10-6-18(7-11-21)17-25-12-3-13-26(15-14-25)23(27)19-4-2-5-22(16-19)31(28,29)24-20-8-9-20/h2,4-7,10-11,16,20,24H,3,8-9,12-15,17H2,1H3