methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)nipecotoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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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=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N3O5S3/c1-27-18(24)12-6-7-14-15(10-12)29-19(20-14)21-17(23)13-4-2-8-22(11-13)30(25,26)16-5-3-9-28-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,20,21,23)