3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-oxidanylidene-3-phenyl-3-[2-(phenylsulfonylamino)propoxy]propanoic acid

Systemtic Name: 3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-oxidanylidene-3-phenyl-3-[2-(phenylsulfonylamino)propoxy]propanoic acid Openeye Name: 3-[2-(benzenesulfonamido)propoxy]-3-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]-2-oxo-3-phenyl-propanoic acid CAS Name: 3-[2-(benzenesulfonamido)propoxy]-3-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-2-oxo-3-phenylpropanoic acid IUPAC Name: 3-[2-(benzenesulfonamido)propoxy]-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-2-oxo-3-phenylpropanoic acid Traditional Name: 3-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-[2-(benzenesulfonamido)propoxy]-2-keto-3-phenyl-propionic acid Formula: C31H35N3O7S MolecularWeight: 593.6905

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C)C(=O)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(COC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C)C(=O)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3O7S/c1-22(33-42(38,39)28-11-7-4-8-12-28)21-40-31(29(35)30(36)37,24-9-5-3-6-10-24)25-13-15-26(16-14-25)41-27-17-19-34(20-18-27)23(2)32/h3-16,22,27,32-33H,17-21H2,1-2H3,(H,36,37)