2-[2-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-1-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-1-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[2-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-1-methyl-indol-3-yl]acetic acid CAS Name: 2-[2-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-1-methyl-3-indolyl]acetic acid IUPAC Name: 2-[2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylindol-3-yl]acetic acid Traditional Name: 2-[2-(4-chloro-3-piperidinosulfonyl-phenyl)-1-methyl-indol-3-yl]acetic acid Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)CC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)CC(=O)O

InChI

InChI=1S/C22H23ClN2O4S/c1-24-19-8-4-3-7-16(19)17(14-21(26)27)22(24)15-9-10-18(23)20(13-15)30(28,29)25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,26,27)