(E)-3-[1-(phenylsulfonyl)indol-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[1-(phenylsulfonyl)indol-2-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(benzenesulfonyl)indol-2-yl]but-2-enoic acid CAS Name: (E)-3-[1-(benzenesulfonyl)-2-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(benzenesulfonyl)indol-2-yl]but-2-enoic acid Traditional Name: (E)-3-(1-besylindol-2-yl)but-2-enoic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)O)/C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO4S/c1-13(11-18(20)21)17-12-14-7-5-6-10-16(14)19(17)24(22,23)15-8-3-2-4-9-15/h2-12H,1H3,(H,20,21)/b13-11+