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

Systemtic Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-4-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-4-methyl-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: N-[[3,5-dimethoxy-4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-4-methyl-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: N-[[3,5-dimethoxy-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-4-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]-4-methyl-benzenesulfonamide Formula: C28H34N2O6S2 MolecularWeight: 558.70936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C(=C2)OC)OCCC3=CSC=C3)OC)C4CCCCNC4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C(=C2)OC)OCCC3=CSC=C3)OC)[C@H]4CCCCNC4=O

InChI

InChI=1S/C28H34N2O6S2/c1-20-7-9-23(10-8-20)38(32,33)30(24-6-4-5-13-29-28(24)31)18-22-16-25(34-2)27(26(17-22)35-3)36-14-11-21-12-15-37-19-21/h7-10,12,15-17,19,24H,4-6,11,13-14,18H2,1-3H3,(H,29,31)/t24-/m0/s1