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

Systemtic Name: ethyl 2-[3-[azanyl-(phenylmethyl)sulfonyl-carbamoyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-[amino(benzylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[[amino-(phenylmethyl)sulfonylamino]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[amino(benzylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-[amino(benzylsulfonyl)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)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(N)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N3O5S/c1-2-25-16(21)12-19-10-6-9-15(11-19)17(22)20(18)26(23,24)13-14-7-4-3-5-8-14/h3-11H,2,12-13,18H2,1H3/q+1