ethyl (Z)-2-acetamido-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-acetamido-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-acetamido-3-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-acetamido-3-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-(4-bromo-1-tosyl-indol-3-yl)acrylic acid ethyl ester Formula: C22H21BrN2O5S MolecularWeight: 505.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(C2=C1C(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(C2=C1C(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)/NC(=O)C

InChI

InChI=1S/C22H21BrN2O5S/c1-4-30-22(27)19(24-15(3)26)12-16-13-25(20-7-5-6-18(23)21(16)20)31(28,29)17-10-8-14(2)9-11-17/h5-13H,4H2,1-3H3,(H,24,26)/b19-12-