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

Systemtic Name: methyl 2-[6-butyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H30FN3O5S2 MolecularWeight: 547.661903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C26H30FN3O5S2/c1-3-4-5-18-6-11-22-23(16-18)36-26(30(22)17-24(31)35-2)28-25(32)19-12-14-29(15-13-19)37(33,34)21-9-7-20(27)8-10-21/h6-11,16,19H,3-5,12-15,17H2,1-2H3