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

Systemtic Name: 4-methyl-N-[(2S)-4-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[(1S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]benzenesulfonamide CAS Name: 4-methyl-N-[(2S)-4-methyl-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentan-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[(1S)-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)butyl]benzenesulfonamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H30N4O3S/c1-17(2)16-20(24-30(28,29)19-9-7-18(3)8-10-19)22(27)26-14-12-25(13-15-26)21-6-4-5-11-23-21/h4-11,17,20,24H,12-16H2,1-3H3/p+1/t20-/m0/s1