methyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22ClN3O6S3 MolecularWeight: 544.06388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OC

InChI

InChI=1S/C21H22ClN3O6S3/c1-30-13-6-7-14-16(11-13)32-21(24(14)12-18(26)31-2)23-20(27)15-5-3-4-10-25(15)34(28,29)19-9-8-17(22)33-19/h6-9,11,15H,3-5,10,12H2,1-2H3