methyl 2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20ClN3O5S3 MolecularWeight: 514.0379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3O5S3/c1-23-13-7-6-12(19(26)29-2)11-15(13)30-20(23)22-18(25)14-5-3-4-10-24(14)32(27,28)17-9-8-16(21)31-17/h6-9,11,14H,3-5,10H2,1-2H3