2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(3,4-dimethoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylprolyl]amino]-3-phenyl-propionic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C22H26N2O7S/c1-30-19-11-10-16(14-20(19)31-2)32(28,29)24-12-6-9-18(24)21(25)23-17(22(26)27)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17-18H,6,9,12-13H2,1-2H3,(H,23,25)(H,26,27)