1-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C18H20ClN4O5S+ MolecularWeight: 439.8932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C18H19ClN4O5S/c19-15-4-3-14(29(26,27)23-6-8-28-9-7-23)10-16(15)21-17(24)12-22-5-1-2-13(11-22)18(20)25/h1-5,10-11H,6-9,12H2,(H2-,20,21,24,25)/p+1