4-ethanoyl-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide Openeye Name: 4-acetyl-N-[(1S)-1-methyl-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[(2S)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide Traditional Name: 4-acetyl-N-[(1S)-2-keto-1-methyl-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzenesulfonamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H24N4O4S/c1-15(22-29(27,28)19-5-3-17(4-6-19)16(2)25)20(26)24-13-11-23(12-14-24)18-7-9-21-10-8-18/h3-10,15,22H,11-14H2,1-2H3/p+1/t15-/m0/s1