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

Systemtic Name: ethyl 2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-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=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N2O5S2/c1-2-26-19(23)15-8-3-4-9-16(15)20-18(22)14-7-5-11-21(13-14)28(24,25)17-10-6-12-27-17/h3-4,6,8-10,12,14H,2,5,7,11,13H2,1H3,(H,20,22)/t14-/m0/s1