ethyl 2-[3-[azanyl-(4-methylphenyl)sulfonyl-carbamoyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[azanyl-(4-methylphenyl)sulfonyl-carbamoyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-[amino(p-tolylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[[amino-(4-methylphenyl)sulfonylamino]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[amino-(4-methylphenyl)sulfonylcarbamoyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-[amino(tosyl)carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H20N3O5S+ MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N3O5S/c1-3-25-16(21)12-19-10-4-5-14(11-19)17(22)20(18)26(23,24)15-8-6-13(2)7-9-15/h4-11H,3,12,18H2,1-2H3/q+1