2-[5-(4-chlorophenyl)sulfanyl-2-methyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)sulfanyl-2-methyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid Openeye Name: 2-[5-(4-chlorophenyl)sulfanyl-2-methyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[5-[(4-chlorophenyl)thio]-2-methyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-[5-(4-chlorophenyl)sulfanyl-2-methyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid Traditional Name: 2-[5-[(4-chlorophenyl)thio]-4-mesyl-2-methyl-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C21H21ClN2O4S2 MolecularWeight: 464.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)S(=O)(=O)C)C(=C3N2CCCC3CC(=O)O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C(=C1)S(=O)(=O)C)C(=C3N2CCCC3CC(=O)O)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O4S2/c1-12-10-16(30(2,27)28)18-20(29-15-7-5-14(22)6-8-15)19-13(11-17(25)26)4-3-9-24(19)21(18)23-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,25,26)