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

Systemtic Name: ethyl 2-[6-bromanyl-2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21BrClN3O5S3 MolecularWeight: 606.96054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClN3O5S3/c1-2-31-18(27)12-25-14-7-6-13(22)11-16(14)32-21(25)24-20(28)15-5-3-4-10-26(15)34(29,30)19-9-8-17(23)33-19/h6-9,11,15H,2-5,10,12H2,1H3