ethyl 2-[1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-4-piperidyl]acetate CAS Name: 2-[1-(1-cyclohex-3-enylmethyl)-4-(4-fluorophenyl)sulfonyl-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonylpiperidin-4-yl]acetate Traditional Name: 2-[1-(cyclohex-3-en-1-ylmethyl)-4-(4-fluorophenyl)sulfonyl-4-piperidyl]acetic acid ethyl ester Formula: C22H30FNO4S MolecularWeight: 423.541303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCN(CC1)CC2CCC=CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC1(CCN(CC1)CC2CCC=CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H30FNO4S/c1-2-28-21(25)16-22(29(26,27)20-10-8-19(23)9-11-20)12-14-24(15-13-22)17-18-6-4-3-5-7-18/h3-4,8-11,18H,2,5-7,12-17H2,1H3