[2-chloranyl-5-[methyl(2-pyridin-1-ium-2-ylethyl)carbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide

Systemtic Name: [2-chloranyl-5-[methyl(2-pyridin-1-ium-2-ylethyl)carbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide Openeye Name: [2-chloro-5-[methyl(2-pyridin-1-ium-2-ylethyl)carbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide CAS Name: [2-chloro-5-[[methyl-[2-(2-pyridin-1-iumyl)ethyl]amino]-oxomethyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide IUPAC Name: [2-chloro-5-[methyl(2-pyridin-1-ium-2-ylethyl)carbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide Traditional Name: [2-chloro-5-[methyl(2-pyridin-1-ium-2-ylethyl)carbamoyl]phenyl]sulfonyl-(4-methoxyphenyl)azanide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=[NH+]1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[N-]C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CCC1=CC=CC=[NH+]1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[N-]C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21ClN3O4S/c1-26(14-12-17-5-3-4-13-24-17)22(27)16-6-11-20(23)21(15-16)31(28,29)25-18-7-9-19(30-2)10-8-18/h3-11,13,15H,12,14H2,1-2H3/q-1/p+1