4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: 4-(2-chloro-5-pyrrolidinosulfonyl-anilino)-4-keto-2-methyl-2-phenyl-butyric acid Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H23ClN2O5S/c1-21(20(26)27,15-7-3-2-4-8-15)14-19(25)23-18-13-16(9-10-17(18)22)30(28,29)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,23,25)(H,26,27)