(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid; 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide

Systemtic Name: (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid; 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide Openeye Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid; 6-chloro-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide Formula: C17H21ClN4O8S2 MolecularWeight: 508.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

Isomeric SMILES

C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChI

InChI=1S/C10H13NO4.C7H8ClN3O4S2/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h2-4,12-13H,5,11H2,1H3,(H,14,15);1-2,10-11H,3H2,(H2,9,12,13)/t10-;/m0./s1