methyl 4-[(5-bromanyl-1-cyclopropylcarbonyl-2,3-dihydroindol-7-yl)sulfonylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-1-cyclopropylcarbonyl-2,3-dihydroindol-7-yl)sulfonylamino]benzoate Openeye Name: methyl 4-[[5-bromo-1-(cyclopropanecarbonyl)indolin-7-yl]sulfonylamino]benzoate CAS Name: 4-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonylamino]benzoate Traditional Name: 4-[[5-bromo-1-(cyclopropanecarbonyl)indolin-7-yl]sulfonylamino]benzoic acid methyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4

InChI

InChI=1S/C20H19BrN2O5S/c1-28-20(25)13-4-6-16(7-5-13)22-29(26,27)17-11-15(21)10-14-8-9-23(18(14)17)19(24)12-2-3-12/h4-7,10-12,22H,2-3,8-9H2,1H3