2-[[1-(3-cyanophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-(3-cyanophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-(3-cyanophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-(3-cyanophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-(3-cyanophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-(3-cyanophenyl)sulfonylprolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C21H21N3O6S/c22-13-15-3-1-4-17(11-15)31(29,30)24-10-2-5-19(24)20(26)23-18(21(27)28)12-14-6-8-16(25)9-7-14/h1,3-4,6-9,11,18-19,25H,2,5,10,12H2,(H,23,26)(H,27,28)