[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: (1-oxidopyridin-1-ium-3-yl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-2-26-16-5-7-17(8-6-16)27(24,25)21-12-10-19(11-13-21)18(22)15-4-3-9-20(23)14-15/h3-9,14H,2,10-13H2,1H3