6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; (2S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 6-chloro-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; (2S)-1-[(2S)-3-mercapto-2-methyl-propanoyl]proline Formula: C16H23ClN4O7S3 MolecularWeight: 515.02442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCCC1C(=O)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

Isomeric SMILES

C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChI

InChI=1S/C9H15NO3S.C7H8ClN3O4S2/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h6-7,14H,2-5H2,1H3,(H,12,13);1-2,10-11H,3H2,(H2,9,12,13)/t6-,7+;/m1./s1