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

Systemtic Name: 2-[6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-cyano-2-methyl-3-[[4-(1-piperazinylsulfonyl)phenyl]thio]-1-indolizinyl]acetic acid IUPAC Name: 2-[6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanylindolizin-1-yl]acetic acid Traditional Name: 2-[6-cyano-2-methyl-3-[(4-piperazinosulfonylphenyl)thio]indolizin-1-yl]acetic acid Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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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)N4CCNCC4

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)SC3=CC=C(C=C3)S(=O)(=O)N4CCNCC4

InChI

InChI=1S/C22H22N4O4S2/c1-15-19(12-21(27)28)20-7-2-16(13-23)14-26(20)22(15)31-17-3-5-18(6-4-17)32(29,30)25-10-8-24-9-11-25/h2-7,14,24H,8-12H2,1H3,(H,27,28)