2-dimethylaminoethyl 3-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate

Systemtic Name: 2-dimethylaminoethyl 3-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate Openeye Name: 2-dimethylaminoethyl 3-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate CAS Name: 3-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoate Traditional Name: 3-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylbenzoic acid 2-dimethylaminoethyl ester Formula: C14H19N5O6S3 MolecularWeight: 449.52556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCCN(C)C)SC(=N1)S(=O)(=O)N

Isomeric SMILES

CN1/C(=N\S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCN(C)C)/SC(=N1)S(=O)(=O)N

InChI

InChI=1S/C14H19N5O6S3/c1-18(2)7-8-25-12(20)10-5-4-6-11(9-10)28(23,24)17-13-19(3)16-14(26-13)27(15,21)22/h4-6,9H,7-8H2,1-3H3,(H2,15,21,22)/b17-13+