2-[[1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylprolyl]amino]-3-phenyl-propionic acid Formula: C19H23ClN4O5S MolecularWeight: 454.92772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl)C

InChI

InChI=1S/C19H23ClN4O5S/c1-12-16(17(20)23(2)22-12)30(28,29)24-10-6-9-15(24)18(25)21-14(19(26)27)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-11H2,1-2H3,(H,21,25)(H,26,27)