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

Systemtic Name: (4-ethoxyphenyl)-[4-(2-pyridin-1-ium-4-ylsulfanylethanoylamino)phenyl]sulfonyl-azanide Openeye Name: (4-ethoxyphenyl)-[4-[(2-pyridin-1-ium-4-ylsulfanylacetyl)amino]phenyl]sulfonyl-azanide CAS Name: (4-ethoxyphenyl)-[4-[[1-oxo-2-(4-pyridin-1-iumylthio)ethyl]amino]phenyl]sulfonylazanide IUPAC Name: (4-ethoxyphenyl)-[4-[(2-pyridin-1-ium-4-ylsulfanylacetyl)amino]phenyl]sulfonylazanide Traditional Name: p-phenetyl-[4-[[2-(pyridin-1-ium-4-ylthio)acetyl]amino]phenyl]sulfonyl-azanide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=[NH+]C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC=[NH+]C=C3

InChI

InChI=1S/C21H20N3O4S2/c1-2-28-18-7-3-17(4-8-18)24-30(26,27)20-9-5-16(6-10-20)23-21(25)15-29-19-11-13-22-14-12-19/h3-14H,2,15H2,1H3,(H,23,25)/q-1/p+1