N3-[2-(1,3-benzothiazol-2-yl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[2-(1,3-benzothiazol-2-yl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[2-(1,3-benzothiazol-2-yl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[2-(1,3-benzothiazol-2-yl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[2-(1,3-benzothiazol-2-yl)phenyl]benzene-1,3-disulfonamide Formula: C19H15N3O4S3 MolecularWeight: 445.5351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C19H15N3O4S3/c20-28(23,24)13-6-5-7-14(12-13)29(25,26)22-16-9-2-1-8-15(16)19-21-17-10-3-4-11-18(17)27-19/h1-12,22H,(H2,20,23,24)