6-azanyl-2-ethylsulfonyl-3H-1,3-benzothiazole-2-sulfonic acid

Systemtic Name: 6-azanyl-2-ethylsulfonyl-3H-1,3-benzothiazole-2-sulfonic acid Openeye Name: 6-amino-2-ethylsulfonyl-3H-1,3-benzothiazole-2-sulfonic acid CAS Name: 6-amino-2-ethylsulfonyl-3H-1,3-benzothiazole-2-sulfonic acid IUPAC Name: 6-amino-2-ethylsulfonyl-3H-1,3-benzothiazole-2-sulfonic acid Traditional Name: 6-amino-2-esyl-3H-1,3-benzothiazole-2-sulfonic acid Formula: C9H12N2O5S3 MolecularWeight: 324.39698

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1(NC2=C(S1)C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CCS(=O)(=O)C1(NC2=C(S1)C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O5S3/c1-2-18(12,13)9(19(14,15)16)11-7-4-3-6(10)5-8(7)17-9/h3-5,11H,2,10H2,1H3,(H,14,15,16)