ethyl 2-acetamido-3-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate

Systemtic Name: ethyl 2-acetamido-3-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate Openeye Name: ethyl 2-acetamido-3-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: 2-acetamido-3-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: 2-acetamido-3-(6-bromo-1-tosyl-indol-3-yl)propionic acid ethyl ester Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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

InChI

InChI=1S/C22H23BrN2O5S/c1-4-30-22(27)20(24-15(3)26)11-16-13-25(21-12-17(23)7-10-19(16)21)31(28,29)18-8-5-14(2)6-9-18/h5-10,12-13,20H,4,11H2,1-3H3,(H,24,26)