2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonyl-4-methyl-benzoic acid; phenylmethanesulfonamide

Systemtic Name: 2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonyl-4-methyl-benzoic acid; phenylmethanesulfonamide Openeye Name: 2-(2-amino-3-hydroxy-3-oxo-propyl)sulfonyl-4-methyl-benzoic acid; phenylmethanesulfonamide CAS Name: 2-(2-amino-3-hydroxy-3-oxopropyl)sulfonyl-4-methylbenzoic acid; phenylmethanesulfonamide IUPAC Name: 2-(2-amino-3-hydroxy-3-oxopropyl)sulfonyl-4-methylbenzoic acid; phenylmethanesulfonamide Traditional Name: 2-(2-amino-3-hydroxy-3-keto-propyl)sulfonyl-4-methyl-benzoic acid; phenylmethanesulfonamide Formula: C18H22N2O8S2 MolecularWeight: 458.50588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)CC(C(=O)O)N.C1=CC=C(C=C1)CS(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)CC(C(=O)O)N.C1=CC=C(C=C1)CS(=O)(=O)N

InChI

InChI=1S/C11H13NO6S.C7H9NO2S/c1-6-2-3-7(10(13)14)9(4-6)19(17,18)5-8(12)11(15)16;8-11(9,10)6-7-4-2-1-3-5-7/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16);1-5H,6H2,(H2,8,9,10)