methyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-besylnipecotoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S2/c1-29-20(26)14-9-10-17-18(12-14)30-21(22-17)23-19(25)15-6-5-11-24(13-15)31(27,28)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,23,25)