N3-(1,3-benzothiazol-2-ylmethyl)-N3-methyl-benzene-1,3-disulfonamide

Systemtic Name: N3-(1,3-benzothiazol-2-ylmethyl)-N3-methyl-benzene-1,3-disulfonamide Openeye Name: N3-(1,3-benzothiazol-2-ylmethyl)-N3-methyl-benzene-1,3-disulfonamide CAS Name: N3-(1,3-benzothiazol-2-ylmethyl)-N3-methylbenzene-1,3-disulfonamide IUPAC Name: 3-N-(1,3-benzothiazol-2-ylmethyl)-3-N-methylbenzene-1,3-disulfonamide Traditional Name: N'-(1,3-benzothiazol-2-ylmethyl)-N'-methyl-benzene-1,3-disulfonamide Formula: C15H15N3O4S3 MolecularWeight: 397.4923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C15H15N3O4S3/c1-18(10-15-17-13-7-2-3-8-14(13)23-15)25(21,22)12-6-4-5-11(9-12)24(16,19)20/h2-9H,10H2,1H3,(H2,16,19,20)