methyl 3-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H21ClN2O5S3 MolecularWeight: 525.06054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H21ClN2O5S3/c1-30-22(27)20-15(13-17(31-20)14-7-3-2-4-8-14)24-21(26)16-9-5-6-12-25(16)33(28,29)19-11-10-18(23)32-19/h2-4,7-8,10-11,13,16H,5-6,9,12H2,1H3,(H,24,26)