(4-methylphenyl)-[4-[3-oxidanylidene-3-(pyridin-1-ium-2-ylmethylamino)propyl]phenyl]sulfonyl-azanide

Systemtic Name: (4-methylphenyl)-[4-[3-oxidanylidene-3-(pyridin-1-ium-2-ylmethylamino)propyl]phenyl]sulfonyl-azanide Openeye Name: [4-[3-oxo-3-(pyridin-1-ium-2-ylmethylamino)propyl]phenyl]sulfonyl-(p-tolyl)azanide CAS Name: (4-methylphenyl)-[4-[3-oxo-3-(2-pyridin-1-iumylmethylamino)propyl]phenyl]sulfonylazanide IUPAC Name: (4-methylphenyl)-[4-[3-oxo-3-(pyridin-1-ium-2-ylmethylamino)propyl]phenyl]sulfonylazanide Traditional Name: [4-[3-keto-3-(pyridin-1-ium-2-ylmethylamino)propyl]phenyl]sulfonyl-(p-tolyl)azanide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=CC=[NH+]3

InChI

InChI=1S/C22H22N3O3S/c1-17-5-10-19(11-6-17)25-29(27,28)21-12-7-18(8-13-21)9-14-22(26)24-16-20-4-2-3-15-23-20/h2-8,10-13,15H,9,14,16H2,1H3,(H,24,26)/q-1/p+1