methyl 2-[[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-[4-(methylthio)phenyl]sulfonyl-4-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-[4-(methylthio)phenyl]sulfonylisonipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H23N3O5S3 MolecularWeight: 505.63012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H23N3O5S3/c1-30-21(27)15-3-8-18-19(13-15)32-22(23-18)24-20(26)14-9-11-25(12-10-14)33(28,29)17-6-4-16(31-2)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,26)