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

Systemtic Name: methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H28FN3O5S2 MolecularWeight: 533.635323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC(=O)OC

InChI

InChI=1S/C25H28FN3O5S2/c1-16(2)18-4-9-21-22(14-18)35-25(29(21)15-23(30)34-3)27-24(31)17-10-12-28(13-11-17)36(32,33)20-7-5-19(26)6-8-20/h4-9,14,16-17H,10-13,15H2,1-3H3