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

Systemtic Name: (6-chloranyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(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-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Traditional Name: (4-benzylpiperazino)-(6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanone Formula: C21H24ClN3O4S MolecularWeight: 449.95096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24ClN3O4S/c1-30(27,28)25-15-20(29-19-8-7-17(22)13-18(19)25)21(26)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14-15H2,1H3