methyl 3-[(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(2-thienylsulfonyl)piperidine-2-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-(2-thienylsulfonyl)pipecoloyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N2O5S3/c1-27-20(24)18-17(13-7-2-3-9-15(13)29-18)21-19(23)14-8-4-5-11-22(14)30(25,26)16-10-6-12-28-16/h2-3,6-7,9-10,12,14H,4-5,8,11H2,1H3,(H,21,23)