N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC(=C(C=C4S3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC(=C(C=C4S3)OC)OC

InChI

InChI=1S/C22H25N3O5S2/c1-14-4-6-16(7-5-14)32(27,28)25-10-8-15(9-11-25)21(26)24-22-23-17-12-18(29-2)19(30-3)13-20(17)31-22/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,24,26)