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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)SC3=C(C=C(C=C3)C(=C)C(=O)N4CCCC(C4)C(=O)O)Cl

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)SC3=C(C=C(C=C3)C(=C)C(=O)N4CCCC(C4)C(=O)O)Cl

InChI

InChI=1S/C24H23ClN2O3S/c1-15(23(28)27-10-3-4-18(14-27)24(29)30)16-5-8-22(20(25)13-16)31-19-6-7-21-17(12-19)9-11-26(21)2/h5-9,11-13,18H,1,3-4,10,14H2,2H3,(H,29,30)