(E)-3-[4-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]carbonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]carbonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-(benzenesulfonyl)-5-methoxy-indole-2-carbonyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[1-(benzenesulfonyl)-5-methoxy-2-indolyl]-oxomethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(benzenesulfonyl)-5-methoxyindole-2-carbonyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1-besyl-5-methoxy-indole-2-carbonyl)phenyl]acrylic acid Formula: C25H19NO6S MolecularWeight: 461.48646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2)C(=O)C3=CC=C(C=C3)C=CC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2)C(=O)C3=CC=C(C=C3)/C=C/C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H19NO6S/c1-32-20-12-13-22-19(15-20)16-23(26(22)33(30,31)21-5-3-2-4-6-21)25(29)18-10-7-17(8-11-18)9-14-24(27)28/h2-16H,1H3,(H,27,28)/b14-9+