2-[2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]ethanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetyl]amino]ethanesulfonic acid CAS Name: 2-[[2-[5-methoxy-2-methyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-indolyl]-1-oxoethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-[5-methoxy-2-methyl-1-[(E)-3-phenylacryloyl]indol-3-yl]acetyl]amino]ethanesulfonic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C=CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)/C=C/C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C23H24N2O6S/c1-16-19(15-22(26)24-12-13-32(28,29)30)20-14-18(31-2)9-10-21(20)25(16)23(27)11-8-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,24,26)(H,28,29,30)/b11-8+