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

Systemtic Name: butyl 4-[2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(p-tolylsulfonyl)indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(3-tosylindol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H28N2O5S/c1-3-4-17-35-28(32)21-11-13-22(14-12-21)29-27(31)19-30-18-26(24-7-5-6-8-25(24)30)36(33,34)23-15-9-20(2)10-16-23/h5-16,18H,3-4,17,19H2,1-2H3,(H,29,31)