methyl 4-[3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-acetyl-5-bromo-indolin-7-yl)sulfonylpropanoylamino]benzoate CAS Name: 4-[[3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]propanoylamino]benzoate Traditional Name: 4-[3-(1-acetyl-5-bromo-indolin-7-yl)sulfonylpropanoylamino]benzoic acid methyl ester Formula: C21H21BrN2O6S MolecularWeight: 509.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)C(=O)OC)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)C(=O)OC)Br

InChI

InChI=1S/C21H21BrN2O6S/c1-13(25)24-9-7-15-11-16(22)12-18(20(15)24)31(28,29)10-8-19(26)23-17-5-3-14(4-6-17)21(27)30-2/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)