1-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[(E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H28N2O6S/c1-33-22-12-10-18(17-23(22)34(31,32)26-14-3-2-4-15-26)11-13-24(28)27-16-6-8-19-20(25(29)30)7-5-9-21(19)27/h5,7,9-13,17H,2-4,6,8,14-16H2,1H3,(H,29,30)/b13-11+