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

Systemtic Name: 3-[5-methyl-4-methylsulfonyl-2-[(Z)-(2-oxidanylidene-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-methyl-4-methylsulfonyl-2-[(Z)-[2-oxo-4-(4-piperidyl)indolin-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-methyl-4-methylsulfonyl-2-[(Z)-[2-oxo-4-(4-piperidinyl)-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-methyl-4-methylsulfonyl-2-[(Z)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[(Z)-[2-keto-4-(4-piperidyl)indolin-3-ylidene]methyl]-4-mesyl-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=C2C3=C(C=CC=C3NC2=O)C4CCNCC4)CCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(N1)/C=C\2/C3=C(C=CC=C3NC2=O)C4CCNCC4)CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O5S/c1-13-22(32(2,30)31)16(6-7-20(27)28)19(25-13)12-17-21-15(14-8-10-24-11-9-14)4-3-5-18(21)26-23(17)29/h3-5,12,14,24-25H,6-11H2,1-2H3,(H,26,29)(H,27,28)/b17-12-