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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-18(2)24-31(28,29)22-11-7-20(8-12-22)23(27)26-14-4-13-25(15-16-26)17-19-5-9-21(30-3)10-6-19/h5-12,18,24H,4,13-17H2,1-3H3