1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]isonipecotamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C21H23N3O4S3/c1-28-15-3-6-17(7-4-15)31(26,27)24-11-9-14(10-12-24)20(25)23-21-22-18-8-5-16(29-2)13-19(18)30-21/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)