2-[1-(4-chlorophenyl)carbonylindol-3-yl]-4-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonylindol-3-yl]-4-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-[1-(4-chlorobenzoyl)indol-3-yl]-4-oxo-butanoic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-3-indolyl]-4-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)indol-3-yl]-4-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-[1-(4-chlorobenzoyl)indol-3-yl]-4-keto-butyric acid Formula: C24H23ClN2O7S MolecularWeight: 518.96662

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)O)NC(=O)CC(C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CS(=O)CCC(C(=O)O)NC(=O)CC(C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C24H23ClN2O7S/c1-35(34)11-10-19(24(32)33)26-21(28)12-17(23(30)31)18-13-27(20-5-3-2-4-16(18)20)22(29)14-6-8-15(25)9-7-14/h2-9,13,17,19H,10-12H2,1H3,(H,26,28)(H,30,31)(H,32,33)