(4-ethoxyphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (4-ethoxyphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (4-ethoxyphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (4-ethoxyphenyl)-[2-methyl-5-[oxo-(4-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (4-ethoxyphenyl)-[2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonylazanide Traditional Name: [2-methyl-5-(pyridin-1-ium-4-ylmethylcarbamoyl)phenyl]sulfonyl-p-phenetyl-azanide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=[NH+]C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=[NH+]C=C3)C

InChI

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