methyl 4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O5S2/c1-25-18(22)14-4-6-15(7-5-14)19-17(21)13-8-10-20(11-9-13)27(23,24)16-3-2-12-26-16/h2-7,12-13H,8-11H2,1H3,(H,19,21)