methyl 3-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[[4-[(3-fluorophenyl)carbamoylamino]-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[4-[[(3-fluoroanilino)-oxomethyl]amino]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[(3-fluorophenyl)carbamoylamino]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H22FN3O5S MolecularWeight: 435.469183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O5S/c1-29-19(25)14-4-2-7-18(12-14)30(27,28)24-10-8-16(9-11-24)22-20(26)23-17-6-3-5-15(21)13-17/h2-7,12-13,16H,8-11H2,1H3,(H2,22,23,26)