ethyl 4-methyl-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 4-methyl-3-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O5S2/c1-3-27-20(24)15-9-8-14(2)17(12-15)21-19(23)16-6-4-10-22(13-16)29(25,26)18-7-5-11-28-18/h5,7-9,11-12,16H,3-4,6,10,13H2,1-2H3,(H,21,23)