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

Systemtic Name: propyl 4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]benzoate Openeye Name: propyl 4-[(1-methylsulfonylindoline-5-carbonyl)amino]benzoate CAS Name: 4-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoate Traditional Name: 4-[(1-mesylindoline-5-carbonyl)amino]benzoic acid propyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-3-12-27-20(24)14-4-7-17(8-5-14)21-19(23)16-6-9-18-15(13-16)10-11-22(18)28(2,25)26/h4-9,13H,3,10-12H2,1-2H3,(H,21,23)