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

Systemtic Name: methyl 4-[2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]ethyl]benzoic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-27-20(24)17-6-4-15(5-7-17)8-11-21-19(23)16-9-12-22(13-10-16)29(25,26)18-3-2-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,21,23)