3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[(1-propanoylindolin-5-yl)sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[(1-propionylindolin-5-yl)sulfonylamino]butyric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-4-14(19)18-8-7-11-9-12(5-6-13(11)18)24(22,23)17-15(10(2)3)16(20)21/h5-6,9-10,15,17H,4,7-8H2,1-3H3,(H,20,21)