N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-8-sulfonamide

Systemtic Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-8-sulfonamide Openeye Name: N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-8-sulfonamide CAS Name: N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-8-quinolinesulfonamide IUPAC Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-8-sulfonamide Traditional Name: N-[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl]-N-[(3S)-2-ketoazepan-3-yl]quinoline-8-sulfonamide Formula: C30H33N3O6S2 MolecularWeight: 595.72952

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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=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OCCC2=CSC=C2)OC)CN([C@H]3CCCCNC3=O)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H33N3O6S2/c1-37-25-17-22(18-26(38-2)29(25)39-15-11-21-12-16-40-20-21)19-33(24-9-3-4-13-32-30(24)34)41(35,36)27-10-5-7-23-8-6-14-31-28(23)27/h5-8,10,12,14,16-18,20,24H,3-4,9,11,13,15,19H2,1-2H3,(H,32,34)/t24-/m0/s1