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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

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