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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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