N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]benzenesulfonamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=CC=C3)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)S(=O)(=O)C3=CC=CC=C3)OCCC4=CC=CC=N4

InChI

InChI=1S/C27H31N3O5S/c1-34-26-19-21(13-14-25(26)35-18-15-22-9-5-7-16-28-22)20-30(24-12-6-8-17-29-27(24)31)36(32,33)23-10-3-2-4-11-23/h2-5,7,9-11,13-14,16,19,24H,6,8,12,15,17-18,20H2,1H3,(H,29,31)/t24-/m0/s1