(4-ethoxyphenyl)-[4-(2-pyridin-1-ium-2-ylethylcarbamoyl)phenyl]sulfonyl-azanide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=[NH+]3

Isomeric SMILES

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=[NH+]3

InChI

InChI=1S/C22H22N3O4S/c1-2-29-20-10-8-19(9-11-20)25-30(27,28)21-12-6-17(7-13-21)22(26)24-16-14-18-5-3-4-15-23-18/h3-13,15H,2,14,16H2,1H3,(H,24,26)/q-1/p+1