6-azanyl-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 6-azanyl-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 6-amino-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 6-amino-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 6-amino-2-ethylsulfonyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 6-amino-2-esyl-1,3-benzothiazole-7-sulfonic acid Formula: C9H10N2O5S3 MolecularWeight: 322.3811

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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/C9H10N2O5S3/c1-2-18(12,13)9-11-6-4-3-5(10)8(7(6)17-9)19(14,15)16/h3-4H,2,10H2,1H3,(H,14,15,16)