(E)-3-[2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[5-cyano-1-(4-methylphenyl)sulfonyl-indol-3-yl]cyclopropyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[5-cyano-1-(p-tolylsulfonyl)indol-3-yl]cyclopropyl]prop-2-enoic acid CAS Name: (E)-3-[2-[5-cyano-1-(4-methylphenyl)sulfonyl-3-indolyl]cyclopropyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(5-cyano-1-tosyl-indol-3-yl)cyclopropyl]acrylic 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)C4CC4C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4/C=C/C(=O)O

InChI

InChI=1S/C22H18N2O4S/c1-14-2-6-17(7-3-14)29(27,28)24-13-20(18-11-16(18)5-9-22(25)26)19-10-15(12-23)4-8-21(19)24/h2-10,13,16,18H,11H2,1H3,(H,25,26)/b9-5+