[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-16(22(27)24-19-7-5-6-18(23)15-19)30-21(26)14-17-8-10-20(11-9-17)31(28,29)25-12-3-2-4-13-25/h5-11,15-16H,2-4,12-14H2,1H3,(H,24,27)