3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[4-(3-fluorophenyl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[4-(3-fluorophenyl)-2-oxidanylidene-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[4-(3-fluorophenyl)-2-oxo-indolin-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[4-(4-chlorophenyl)sulfonyl-2-[(Z)-[4-(3-fluorophenyl)-2-keto-indolin-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C29H22ClFN2O5S MolecularWeight: 565.011783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=C(C=CC=C3NC2=O)C4=CC(=CC=C4)F)CCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=C(N1)/C=C\2/C3=C(C=CC=C3NC2=O)C4=CC(=CC=C4)F)CCC(=O)O)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H22ClFN2O5S/c1-16-28(39(37,38)20-10-8-18(30)9-11-20)22(12-13-26(34)35)25(32-16)15-23-27-21(17-4-2-5-19(31)14-17)6-3-7-24(27)33-29(23)36/h2-11,14-15,32H,12-13H2,1H3,(H,33,36)(H,34,35)/b23-15-