[2-chloranyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methylphenyl)azanide

Systemtic Name: [2-chloranyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methylphenyl)azanide Openeye Name: [2-chloro-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(o-tolyl)azanide CAS Name: [2-chloro-5-[oxo-(4-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-(2-methylphenyl)azanide IUPAC Name: [2-chloro-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(2-methylphenyl)azanide Traditional Name: [2-chloro-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(o-tolyl)azanide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=[NH+]C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=[NH+]C=C3)Cl

InChI

InChI=1S/C20H17ClN3O3S/c1-14-4-2-3-5-18(14)24-28(26,27)19-12-16(6-7-17(19)21)20(25)23-13-15-8-10-22-11-9-15/h2-12H,13H2,1H3,(H,23,25)/q-1/p+1