ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H26FN3O7S3 MolecularWeight: 583.672543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O7S3/c1-3-35-22(29)15-28-20-9-8-19(37(2,31)32)14-21(20)36-24(28)26-23(30)16-10-12-27(13-11-16)38(33,34)18-6-4-17(25)5-7-18/h4-9,14,16H,3,10-13,15H2,1-2H3