2-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-1,2-thiazinane 1,1-dioxide

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-1,2-thiazinane 1,1-dioxide Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]thiazinane 1,1-dioxide CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]thiazinane 1,1-dioxide IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]thiazinane 1,1-dioxide Traditional Name: 2-[4-(4-benzylpiperazino)sulfonylphenyl]thiazinane 1,1-dioxide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O4S2/c25-29(26)17-5-4-12-24(29)20-8-10-21(11-9-20)30(27,28)23-15-13-22(14-16-23)18-19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-18H2