[4-[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [4-[4-(4-chloranyl-2-methyl-phenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [4-[4-(4-chloro-2-methyl-phenoxy)-1-piperidyl]-1-piperidyl]-(3-methylsulfonylphenyl)methanone CAS Name: [4-[4-(4-chloro-2-methylphenoxy)-1-piperidinyl]-1-piperidinyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [4-[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [4-[4-(4-chloro-2-methyl-phenoxy)piperidino]piperidino]-(3-mesylphenyl)methanone Formula: C25H31ClN2O4S MolecularWeight: 491.04264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2CCN(CC2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2CCN(CC2)C3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H31ClN2O4S/c1-18-16-20(26)6-7-24(18)32-22-10-14-27(15-11-22)21-8-12-28(13-9-21)25(29)19-4-3-5-23(17-19)33(2,30)31/h3-7,16-17,21-22H,8-15H2,1-2H3