butyl 4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(1-methylsulfonylindoline-5-carbonyl)amino]benzoate CAS Name: 4-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoate Traditional Name: 4-[(1-mesylindoline-5-carbonyl)amino]benzoic acid butyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-3-4-13-28-21(25)15-5-8-18(9-6-15)22-20(24)17-7-10-19-16(14-17)11-12-23(19)29(2,26)27/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,24)