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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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