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

Systemtic Name: methyl 4-[3-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 4-[3-[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]propanoylamino]benzoate CAS Name: 4-[[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoylamino]benzoate Traditional Name: 4-[3-[(1-acetyl-2-methyl-indolin-5-yl)sulfonylamino]propanoylamino]benzoic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O6S/c1-14-12-17-13-19(8-9-20(17)25(14)15(2)26)32(29,30)23-11-10-21(27)24-18-6-4-16(5-7-18)22(28)31-3/h4-9,13-14,23H,10-12H2,1-3H3,(H,24,27)