(Z)-3-[1-(phenylsulfonyl)indol-5-yl]but-2-enoic acid

Systemtic Name: (Z)-3-[1-(phenylsulfonyl)indol-5-yl]but-2-enoic acid Openeye Name: (Z)-3-[1-(benzenesulfonyl)indol-5-yl]but-2-enoic acid CAS Name: (Z)-3-[1-(benzenesulfonyl)-5-indolyl]-2-butenoic acid IUPAC Name: (Z)-3-[1-(benzenesulfonyl)indol-5-yl]but-2-enoic acid Traditional Name: (Z)-3-(1-besylindol-5-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=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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