4-methyl-N-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[(1R)-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2R)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2R)-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[(1R)-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N4O3S/c1-3-18(22-28(26,27)17-9-7-16(2)8-10-17)20(25)24-14-12-23(13-15-24)19-6-4-5-11-21-19/h4-11,18,22H,3,12-15H2,1-2H3/p+1/t18-/m1/s1