2,5-dimethoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2,5-dimethoxy-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide Openeye Name: 2,5-dimethoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(2-pyridylmethoxy)phenyl]methyl]benzenesulfonamide CAS Name: 2,5-dimethoxy-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]benzenesulfonamide IUPAC Name: 2,5-dimethoxy-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2,5-dimethoxy-N-[4-(2-pyridylmethoxy)benzyl]benzenesulfonamide Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C4CCCCNC4=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)[C@H]4CCCCNC4=O

InChI

InChI=1S/C27H31N3O6S/c1-34-23-13-14-25(35-2)26(17-23)37(32,33)30(24-8-4-6-16-29-27(24)31)18-20-9-11-22(12-10-20)36-19-21-7-3-5-15-28-21/h3,5,7,9-15,17,24H,4,6,8,16,18-19H2,1-2H3,(H,29,31)/t24-/m0/s1