(E)-3-[2-(1-azanylcyclobutyl)-1-(4-methylphenyl)sulfonyl-indol-6-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(1-azanylcyclobutyl)-1-(4-methylphenyl)sulfonyl-indol-6-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(1-aminocyclobutyl)-1-(p-tolylsulfonyl)indol-6-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-aminocyclobutyl)-1-(4-methylphenyl)sulfonyl-6-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(1-aminocyclobutyl)-1-(4-methylphenyl)sulfonylindol-6-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(1-aminocyclobutyl)-1-tosyl-indol-6-yl]acrylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)C=CC(=O)O)C4(CCC4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)/C=C/C(=O)O)C4(CCC4)N

InChI

InChI=1S/C22H22N2O4S/c1-15-3-8-18(9-4-15)29(27,28)24-19-13-16(6-10-21(25)26)5-7-17(19)14-20(24)22(23)11-2-12-22/h3-10,13-14H,2,11-12,23H2,1H3,(H,25,26)/b10-6+