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

Systemtic Name: 3-chloranyl-N-[(2S)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[(1S)-1-methyl-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 3-chloro-N-[(2S)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]benzenesulfonamide IUPAC Name: 3-chloro-N-[(2S)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[(1S)-2-keto-1-methyl-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzenesulfonamide Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-14(21-27(25,26)17-4-2-3-15(19)13-17)18(24)23-11-9-22(10-12-23)16-5-7-20-8-6-16/h2-8,13-14,21H,9-12H2,1H3/p+1/t14-/m0/s1