1-[2-[3-chloranyl-4-(1-methylindol-5-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3-chloranyl-4-(1-methylindol-5-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-chloro-4-(1-methylindol-5-yl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[3-chloro-4-[(1-methyl-5-indolyl)thio]phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-chloro-4-(1-methylindol-5-yl)sulfanylphenyl]prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-chloro-4-[(1-methylindol-5-yl)thio]phenyl]acryloyl]isonipecotic acid Formula: C24H23ClN2O3S MolecularWeight: 454.96902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)SC3=C(C=C(C=C3)C(=C)C(=O)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)SC3=C(C=C(C=C3)C(=C)C(=O)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C24H23ClN2O3S/c1-15(23(28)27-11-8-16(9-12-27)24(29)30)17-3-6-22(20(25)14-17)31-19-4-5-21-18(13-19)7-10-26(21)2/h3-7,10,13-14,16H,1,8-9,11-12H2,2H3,(H,29,30)