N'-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenecarboximidamide

Systemtic Name: N'-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenecarboximidamide Openeye Name: N'-(p-tolylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamidine CAS Name: N'-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenecarboximidamide IUPAC Name: N'-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenecarboximidamide Traditional Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N'-tosyl-benzamidine Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/C2=CC=CC=C2)\NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H21N3O2S2/c1-15-11-13-17(14-12-15)28(25,26)24-20(16-7-3-2-4-8-16)23-21-22-18-9-5-6-10-19(18)27-21/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,22,23,24)