ethyl 4-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-2-27-19(24)13-6-8-14(9-7-13)21-18(23)15-5-3-4-12-22(15)29(25,26)17-11-10-16(20)28-17/h6-11,15H,2-5,12H2,1H3,(H,21,23)