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

Systemtic Name: methyl 4-[3-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonyl]butanoylamino]benzoate Openeye Name: methyl 4-[3-(1-acetylindolin-5-yl)sulfonylbutanoylamino]benzoate CAS Name: 4-[[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanoylamino]benzoate Traditional Name: 4-[3-(1-acetylindolin-5-yl)sulfonylbutanoylamino]benzoic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C22H24N2O6S/c1-14(12-21(26)23-18-6-4-16(5-7-18)22(27)30-3)31(28,29)19-8-9-20-17(13-19)10-11-24(20)15(2)25/h4-9,13-14H,10-12H2,1-3H3,(H,23,26)