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

Systemtic Name: ethyl 4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 4-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-2-26-19(23)14-7-9-16(10-8-14)20-18(22)15-5-3-11-21(13-15)28(24,25)17-6-4-12-27-17/h4,6-10,12,15H,2-3,5,11,13H2,1H3,(H,20,22)