2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonyl-4-methyl-benzoic acid; N-propan-2-ylpentanamide

Systemtic Name: 2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonyl-4-methyl-benzoic acid; N-propan-2-ylpentanamide Openeye Name: 2-(2-amino-3-hydroxy-3-oxo-propyl)sulfonyl-4-methyl-benzoic acid; N-isopropylpentanamide CAS Name: 2-(2-amino-3-hydroxy-3-oxopropyl)sulfonyl-4-methylbenzoic acid; N-propan-2-ylpentanamide IUPAC Name: 2-(2-amino-3-hydroxy-3-oxopropyl)sulfonyl-4-methylbenzoic acid; N-propan-2-ylpentanamide Traditional Name: 2-(2-amino-3-hydroxy-3-keto-propyl)sulfonyl-4-methyl-benzoic acid; N-isopropylvaleramide Formula: C19H30N2O7S MolecularWeight: 430.5157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C)C.CC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)CC(C(=O)O)N

Isomeric SMILES

CCCCC(=O)NC(C)C.CC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)CC(C(=O)O)N

InChI

InChI=1S/C11H13NO6S.C8H17NO/c1-6-2-3-7(10(13)14)9(4-6)19(17,18)5-8(12)11(15)16;1-4-5-6-8(10)9-7(2)3/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16);7H,4-6H2,1-3H3,(H,9,10)