dimethyl-[(1S)-2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-24(2)19(16-7-4-3-5-8-16)14-23-21(27)17-9-6-10-18(13-17)30(28,29)25-12-11-22-20(26)15-25/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26)(H,23,27)/p+1/t19-/m1/s1