7-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-7-methyl-4H-1,4-benzoxazin-3-one CAS Name: 7-methyl-6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-7-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-7-methyl-4H-1,4-benzoxazin-3-one Formula: C20H24N3O4S+ MolecularWeight: 402.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)NC(=O)CO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)NC(=O)CO2

InChI

InChI=1S/C20H23N3O4S/c1-15-11-18-17(21-20(24)14-27-18)12-19(15)28(25,26)23-9-7-22(8-10-23)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,24)/p+1