[2-chloranyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(3,4-dimethylphenyl)azanide

Systemtic Name: [2-chloranyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Openeye Name: [2-chloro-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(3,4-dimethylphenyl)azanide CAS Name: [2-chloro-5-[oxo-(4-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-(3,4-dimethylphenyl)azanide IUPAC Name: [2-chloro-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Traditional Name: [2-chloro-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-(3,4-dimethylphenyl)azanide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN3O3S/c1-14-3-5-18(11-15(14)2)25-29(27,28)20-12-17(4-6-19(20)22)21(26)24-13-16-7-9-23-10-8-16/h3-12H,13H2,1-2H3,(H,24,26)/q-1/p+1