N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]thiophene-2-carboxamide Openeye Name: N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]thiophene-2-carboxamide CAS Name: N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]-2-quinoxalinyl]-4-pyridin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[3-[(4-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-4-yl]thiophene-2-carboxamide Traditional Name: N-[1-[3-(p-phenetylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-4-yl]thiophene-2-carboxamide Formula: C26H22N5O4S2+ MolecularWeight: 532.61398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H21N5O4S2/c1-2-35-19-9-11-20(12-10-19)37(33,34)30-24-25(29-22-7-4-3-6-21(22)28-24)31-15-13-18(14-16-31)27-26(32)23-8-5-17-36-23/h3-17H,2H2,1H3,(H,28,30)/p+1