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

Systemtic Name: methyl 2-[2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(p-tolylsulfonyl)indol-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-(3-tosylindol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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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)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H22N2O5S/c1-17-11-13-18(14-12-17)33(30,31)23-15-27(22-10-6-4-8-20(22)23)16-24(28)26-21-9-5-3-7-19(21)25(29)32-2/h3-15H,16H2,1-2H3,(H,26,28)