N-cyclohexyl-N-methyl-6-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]pyridine-3-sulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-6-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethylsulfanyl]pyridine-3-sulfonamide Openeye Name: N-cyclohexyl-N-methyl-6-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyridine-3-sulfonamide CAS Name: N-cyclohexyl-N-methyl-6-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylthio]-3-pyridinesulfonamide IUPAC Name: N-cyclohexyl-N-methyl-6-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]pyridine-3-sulfonamide Traditional Name: N-cyclohexyl-N-methyl-6-[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethylthio]pyridine-3-sulfonamide Formula: C21H25N3O5S3 MolecularWeight: 495.6353

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CN=C(C=C2)SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CN=C(C=C2)SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H25N3O5S3/c1-23(16-7-3-2-4-8-16)31(26,27)17-11-12-20(22-15-17)30-14-13-24-21(25)18-9-5-6-10-19(18)32(24,28)29/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3