methyl-[3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]propyl]-methyl-ammonium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-25(16-18-7-3-2-4-8-18)13-6-11-24-22(28)19-9-5-10-20(15-19)31(29,30)26-14-12-23-21(27)17-26/h2-5,7-10,15H,6,11-14,16-17H2,1H3,(H,23,27)(H,24,28)/p+1