N,N-diethyl-2-[4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[3-(3-ketopiperazino)sulfonylbenzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H32N5O5S+ MolecularWeight: 466.57428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H31N5O5S/c1-3-24(4-2)20(28)16-23-10-12-25(13-11-23)21(29)17-6-5-7-18(14-17)32(30,31)26-9-8-22-19(27)15-26/h5-7,14H,3-4,8-13,15-16H2,1-2H3,(H,22,27)/p+1