ethyl 2-chloranyl-5-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 2-chloro-5-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S2/c1-2-27-19(24)15-11-14(7-8-16(15)20)21-18(23)13-5-3-9-22(12-13)29(25,26)17-6-4-10-28-17/h4,6-8,10-11,13H,2-3,5,9,12H2,1H3,(H,21,23)