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

Systemtic Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: N-[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl]-N-[(3S)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C27H32N2O6S2 MolecularWeight: 544.68278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN([C@H]3CCCCNC3=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O6S2/c1-33-24-16-21(17-25(34-2)26(24)35-14-11-20-12-15-36-19-20)18-29(23-10-6-7-13-28-27(23)30)37(31,32)22-8-4-3-5-9-22/h3-5,8-9,12,15-17,19,23H,6-7,10-11,13-14,18H2,1-2H3,(H,28,30)/t23-/m0/s1