[2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-(4-methylphenyl)azanide

Systemtic Name: [2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-(4-methylphenyl)azanide Openeye Name: [2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-(p-tolyl)azanide CAS Name: [2-methoxy-5-[[methyl(3-pyridin-1-iumylmethyl)amino]-oxomethyl]phenyl]sulfonyl-(4-methylphenyl)azanide IUPAC Name: [2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-(4-methylphenyl)azanide Traditional Name: [2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-(p-tolyl)azanide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)CC3=C[NH+]=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)CC3=C[NH+]=CC=C3)OC

InChI

InChI=1S/C22H22N3O4S/c1-16-6-9-19(10-7-16)24-30(27,28)21-13-18(8-11-20(21)29-3)22(26)25(2)15-17-5-4-12-23-14-17/h4-14H,15H2,1-3H3/q-1/p+1