methyl 2-[2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[3-(p-tolylsulfonyl)indol-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-(3-tosylindol-1-yl)acetyl]amino]acetic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-14-7-9-15(10-8-14)28(25,26)18-12-22(17-6-4-3-5-16(17)18)13-19(23)21-11-20(24)27-2/h3-10,12H,11,13H2,1-2H3,(H,21,23)