3-[(2-bromophenyl)sulfonylamino]-N-[1-[(4-methylphenyl)methyl]pyridin-1-ium-2-yl]propanamide

Systemtic Name: 3-[(2-bromophenyl)sulfonylamino]-N-[1-[(4-methylphenyl)methyl]pyridin-1-ium-2-yl]propanamide Openeye Name: 3-[(2-bromophenyl)sulfonylamino]-N-[1-(p-tolylmethyl)pyridin-1-ium-2-yl]propanamide CAS Name: 3-[(2-bromophenyl)sulfonylamino]-N-[1-[(4-methylphenyl)methyl]-2-pyridin-1-iumyl]propanamide IUPAC Name: 3-[(2-bromophenyl)sulfonylamino]-N-[1-[(4-methylphenyl)methyl]pyridin-1-ium-2-yl]propanamide Traditional Name: 3-[(2-bromophenyl)sulfonylamino]-N-[1-(4-methylbenzyl)pyridin-1-ium-2-yl]propionamide Formula: C22H23BrN3O3S+ MolecularWeight: 489.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CC=CC=C2NC(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CC=CC=C2NC(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H22BrN3O3S/c1-17-9-11-18(12-10-17)16-26-15-5-4-8-21(26)25-22(27)13-14-24-30(28,29)20-7-3-2-6-19(20)23/h2-12,15,24H,13-14,16H2,1H3/p+1