4-methoxy-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-methoxy-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-methoxy-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-methoxy-3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-methoxy-3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C17H20N4O4S/c1-25-16-3-2-14(26(18,23)24)12-15(16)17(22)21-10-8-20(9-11-21)13-4-6-19-7-5-13/h2-7,12H,8-11H2,1H3,(H2,18,23,24)/p+1