N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-1-sulfonamide

Systemtic Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-1-sulfonamide Openeye Name: N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-1-sulfonamide CAS Name: N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-1-naphthalenesulfonamide IUPAC Name: N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-1-sulfonamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]naphthalene-1-sulfonamide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)OCCC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)OCCC5=CC=CC=N5

InChI

InChI=1S/C31H33N3O5S/c1-38-29-21-23(15-16-28(29)39-20-17-25-11-4-6-18-32-25)22-34(27-13-5-7-19-33-31(27)35)40(36,37)30-14-8-10-24-9-2-3-12-26(24)30/h2-4,6,8-12,14-16,18,21,27H,5,7,13,17,19-20,22H2,1H3,(H,33,35)/t27-/m0/s1