methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

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