methyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-[(5-chloro-2-thienyl)sulfonyl]isonipecotoyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H19ClN2O5S3 MolecularWeight: 499.02326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H19ClN2O5S3/c1-28-20(25)17-13-4-2-3-5-14(13)29-19(17)22-18(24)12-8-10-23(11-9-12)31(26,27)16-7-6-15(21)30-16/h2-7,12H,8-11H2,1H3,(H,22,24)