[(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [(1R)-2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22Cl2N2O5S/c1-14(20(26)24-19-10-7-16(22)13-18(19)23)30-21(27)15-5-8-17(9-6-15)31(28,29)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)/t14-/m1/s1