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

Systemtic Name: 2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[5-cyano-1-(p-tolylsulfonyl)indol-3-yl]cyclopropanecarboxylic acid CAS Name: 2-[5-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-(5-cyano-1-tosyl-indol-3-yl)cyclopropanecarboxylic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

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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)C4CC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4C(=O)O

InChI

InChI=1S/C20H16N2O4S/c1-12-2-5-14(6-3-12)27(25,26)22-11-18(15-9-17(15)20(23)24)16-8-13(10-21)4-7-19(16)22/h2-8,11,15,17H,9H2,1H3,(H,23,24)