(6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone CAS Name: (6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: (4-benzylpiperidino)-(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Formula: C22H25ClN2O4S MolecularWeight: 448.9629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN2O4S/c1-30(27,28)25-15-21(29-20-8-7-18(23)14-19(20)25)22(26)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17,21H,9-13,15H2,1H3