N3-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzene-1,3-disulfonamide Formula: C20H17N3O4S3 MolecularWeight: 459.56168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C20H17N3O4S3/c21-29(24,25)16-4-3-5-17(13-16)30(26,27)23-15-10-8-14(9-11-15)12-20-22-18-6-1-2-7-19(18)28-20/h1-11,13,23H,12H2,(H2,21,24,25)