2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopentene-1-carboxylic acid Openeye Name: 2-[5-cyano-1-(p-tolylsulfonyl)indol-3-yl]cyclopentene-1-carboxylic acid CAS Name: 2-[5-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopentene-1-carboxylic acid Traditional Name: 2-(5-cyano-1-tosyl-indol-3-yl)cyclopentene-1-carboxylic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4=C(CCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4=C(CCC4)C(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-14-5-8-16(9-6-14)29(27,28)24-13-20(17-3-2-4-18(17)22(25)26)19-11-15(12-23)7-10-21(19)24/h5-11,13H,2-4H2,1H3,(H,25,26)