N4-(2-methyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide

Systemtic Name: N4-(2-methyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Openeye Name: N4-(2-methyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide CAS Name: N4-(2-methyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(2-methyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Traditional Name: N'-(2-methyl-1,3-benzothiazol-6-yl)benzene-1,4-disulfonamide Formula: C14H13N3O4S3 MolecularWeight: 383.46572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C14H13N3O4S3/c1-9-16-13-7-2-10(8-14(13)22-9)17-24(20,21)12-5-3-11(4-6-12)23(15,18)19/h2-8,17H,1H3,(H2,15,18,19)