4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-methyl-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-methyl-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-methyl-4-oxo-2-phenylbutanoic acid Traditional Name: 4-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-4-keto-2-methyl-2-phenyl-butyric acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CC(C)(C2=CC=CC=C2)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CC(C)(C2=CC=CC=C2)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H28N2O6S/c1-3-31-19-12-11-18(15-20(19)32(29,30)25-13-7-8-14-25)24-21(26)16-23(2,22(27)28)17-9-5-4-6-10-17/h4-6,9-12,15H,3,7-8,13-14,16H2,1-2H3,(H,24,26)(H,27,28)