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

Systemtic Name: ethyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H30FN3O5S2 MolecularWeight: 547.661903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H30FN3O5S2/c1-4-35-24(31)16-30-22-10-5-19(17(2)3)15-23(22)36-26(30)28-25(32)18-11-13-29(14-12-18)37(33,34)21-8-6-20(27)7-9-21/h5-10,15,17-18H,4,11-14,16H2,1-3H3