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

Systemtic Name: ethyl 2-[3-[azanyl(phenylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-[amino(benzenesulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[[amino(benzenesulfonyl)amino]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-[amino(benzenesulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-[amino(besyl)carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C16H18BrN3O5S MolecularWeight: 444.30022

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N3O5S.BrH/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;1H/q+1;/p-1