ethyl 2-[3-[azanyl(phenylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[azanyl(phenylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-[amino(benzenesulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[[amino(benzenesulfonyl)amino]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[amino(benzenesulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-[amino(besyl)carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H18N3O5S+ MolecularWeight: 364.39622

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N3O5S/c1-2-24-15(20)12-18-10-6-7-13(11-18)16(21)19(17)25(22,23)14-8-4-3-5-9-14/h3-11H,2,12,17H2,1H3/q+1