2-[7-chloranyl-6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[7-chloro-6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanyl-indolizin-1-yl]acetic acid CAS Name: 2-[7-chloro-6-cyano-2-methyl-3-[[4-(1-piperazinylsulfonyl)phenyl]thio]-1-indolizinyl]acetic acid IUPAC Name: 2-[7-chloro-6-cyano-2-methyl-3-(4-piperazin-1-ylsulfonylphenyl)sulfanylindolizin-1-yl]acetic acid Traditional Name: 2-[7-chloro-6-cyano-2-methyl-3-[(4-piperazinosulfonylphenyl)thio]indolizin-1-yl]acetic acid Formula: C22H21ClN4O4S2 MolecularWeight: 505.00954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4S2/c1-14-18(10-21(28)29)20-11-19(23)15(12-24)13-27(20)22(14)32-16-2-4-17(5-3-16)33(30,31)26-8-6-25-7-9-26/h2-5,11,13,25H,6-10H2,1H3,(H,28,29)