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

Systemtic Name: methyl (2R)-2-acetamido-3-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate Openeye Name: methyl (2R)-2-acetamido-3-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2R)-2-acetamido-3-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: (2R)-2-acetamido-3-(6-bromo-1-tosyl-indol-3-yl)propionic acid methyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)C[C@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H21BrN2O5S/c1-13-4-7-17(8-5-13)30(27,28)24-12-15(18-9-6-16(22)11-20(18)24)10-19(21(26)29-3)23-14(2)25/h4-9,11-12,19H,10H2,1-3H3,(H,23,25)/t19-/m1/s1