4-methyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate

Systemtic Name: 4-methyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: 4-methyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: 4-methyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: 4-methyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: 4-methyl-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C12H13N2O5S3- MolecularWeight: 361.43702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)[O-])NCC2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)[O-])NCC2=CC=CS2

InChI

InChI=1S/C12H14N2O5S3/c1-8-5-10(14-7-9-3-2-4-20-9)12(22(17,18)19)6-11(8)21(13,15)16/h2-6,14H,7H2,1H3,(H2,13,15,16)(H,17,18,19)/p-1