[1-(2-azanylbutanoyl)-2-(butylcarbamoyl)-2,3-dihydroindol-5-yl] hydrogen sulfate

Systemtic Name: [1-(2-azanylbutanoyl)-2-(butylcarbamoyl)-2,3-dihydroindol-5-yl] hydrogen sulfate Openeye Name: [1-(2-aminobutanoyl)-2-(butylcarbamoyl)indolin-5-yl] hydrogen sulfate CAS Name: sulfuric acid [1-(2-amino-1-oxobutyl)-2-[butylamino(oxo)methyl]-2,3-dihydroindol-5-yl] ester IUPAC Name: [1-(2-aminobutanoyl)-2-(butylcarbamoyl)-2,3-dihydroindol-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-(2-aminobutanoyl)-2-(butylcarbamoyl)indolin-5-yl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC2=C(N1C(=O)C(CC)N)C=CC(=C2)OS(=O)(=O)O

Isomeric SMILES

CCCCNC(=O)C1CC2=C(N1C(=O)C(CC)N)C=CC(=C2)OS(=O)(=O)O

InChI

InChI=1S/C17H25N3O6S/c1-3-5-8-19-16(21)15-10-11-9-12(26-27(23,24)25)6-7-14(11)20(15)17(22)13(18)4-2/h6-7,9,13,15H,3-5,8,10,18H2,1-2H3,(H,19,21)(H,23,24,25)