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

Systemtic Name: 2-[[1-(4-cyanophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(4-cyanophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(4-cyanophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-cyanophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(4-cyanophenyl)sulfonylprolyl]amino]-3-phenyl-propionic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c22-14-16-8-10-17(11-9-16)30(28,29)24-12-4-7-19(24)20(25)23-18(21(26)27)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-13H2,(H,23,25)(H,26,27)