4-[(2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1S)-1-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2S)-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1S)-2-keto-1-methyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]ethoxy]benzonitrile Formula: C19H28N5O4S+ MolecularWeight: 422.52172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H27N5O4S/c1-16(28-18-5-3-17(15-20)4-6-18)19(25)22-9-13-24(14-10-22)29(26,27)23-11-7-21(2)8-12-23/h3-6,16H,7-14H2,1-2H3/p+1/t16-/m0/s1