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

Systemtic Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-2-sulfonamide Openeye Name: N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-2-sulfonamide CAS Name: N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-naphthalenesulfonamide IUPAC Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-2-sulfonamide Traditional Name: N-[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl]-N-[(3S)-2-ketoazepan-3-yl]naphthalene-2-sulfonamide Formula: C31H34N2O6S2 MolecularWeight: 594.74146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN([C@H]3CCCCNC3=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H34N2O6S2/c1-37-28-17-23(18-29(38-2)30(28)39-15-12-22-13-16-40-21-22)20-33(27-9-5-6-14-32-31(27)34)41(35,36)26-11-10-24-7-3-4-8-25(24)19-26/h3-4,7-8,10-11,13,16-19,21,27H,5-6,9,12,14-15,20H2,1-2H3,(H,32,34)/t27-/m0/s1