2-[6-cyano-2-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfanyl-indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-cyano-2-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfanyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-2-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfanyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-cyano-2-methyl-3-[[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]thio]-1-indolizinyl]acetic acid IUPAC Name: 2-[6-cyano-2-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]sulfanylindolizin-1-yl]acetic acid Traditional Name: 2-[6-cyano-2-methyl-3-[[4-(4-methylpiperazino)sulfonylphenyl]thio]indolizin-1-yl]acetic acid Formula: C23H24N4O4S2 MolecularWeight: 484.59106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)SC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)SC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C23H24N4O4S2/c1-16-20(13-22(28)29)21-8-3-17(14-24)15-27(21)23(16)32-18-4-6-19(7-5-18)33(30,31)26-11-9-25(2)10-12-26/h3-8,15H,9-13H2,1-2H3,(H,28,29)