[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC(=CC=C3)Cl)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c22-17-6-4-5-15(11-17)13-24-20(26)14-30-21(27)16-7-8-18(23)19(12-16)31(28,29)25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10,13-14H2,(H,24,26)