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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3O5S3/c1-29-17(25)12-23-13-6-2-3-8-15(13)30-20(23)22-19(26)14-7-4-5-11-24(14)32(27,28)18-10-9-16(21)31-18/h2-3,6,8-10,14H,4-5,7,11-12H2,1H3