(E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-(3-indolin-1-ylsulfonyl-4-methyl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid Traditional Name: (E)-3-(3-indolin-1-ylsulfonyl-4-methyl-phenyl)acrylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C18H17NO4S/c1-13-6-7-14(8-9-18(20)21)12-17(13)24(22,23)19-11-10-15-4-2-3-5-16(15)19/h2-9,12H,10-11H2,1H3,(H,20,21)/b9-8+