N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-1-sulfonamide

Systemtic Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-1-sulfonamide Openeye Name: N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-1-sulfonamide CAS Name: N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-1-naphthalenesulfonamide IUPAC Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-1-sulfonamide Traditional Name: N-[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl]-N-[(3S)-2-ketoazepan-3-yl]naphthalene-1-sulfonamide Formula: C31H34N2O6S2 MolecularWeight: 594.74146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN([C@H]3CCCCNC3=O)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H34N2O6S2/c1-37-27-18-23(19-28(38-2)30(27)39-16-13-22-14-17-40-21-22)20-33(26-11-5-6-15-32-31(26)34)41(35,36)29-12-7-9-24-8-3-4-10-25(24)29/h3-4,7-10,12,14,17-19,21,26H,5-6,11,13,15-16,20H2,1-2H3,(H,32,34)/t26-/m0/s1