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

Systemtic Name: (4-bromophenyl)-[2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide Openeye Name: (4-bromophenyl)-[2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide CAS Name: (4-bromophenyl)-[2-methoxy-5-[[methyl(3-pyridin-1-iumylmethyl)amino]-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (4-bromophenyl)-[2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonylazanide Traditional Name: (4-bromophenyl)-[2-methoxy-5-[methyl(pyridin-1-ium-3-ylmethyl)carbamoyl]phenyl]sulfonyl-azanide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN3O4S/c1-25(14-15-4-3-11-23-13-15)21(26)16-5-10-19(29-2)20(12-16)30(27,28)24-18-8-6-17(22)7-9-18/h3-13H,14H2,1-2H3/q-1/p+1