1-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 1-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 1-[6-(4-benzylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 1-[6-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 1-[6-(4-benzylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 1-[6-(4-benzylpiperazino)sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S/c1-17(25)24-13-14-28-21-8-7-19(15-20(21)24)29(26,27)23-11-9-22(10-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3