N,N-diethyl-6-[2-[(2-nitrophenyl)amino]ethylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[2-[(2-nitrophenyl)amino]ethylamino]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[2-(2-nitroanilino)ethylamino]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[2-(2-nitroanilino)ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[2-(2-nitroanilino)ethylamino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[2-(2-nitroanilino)ethylamino]pyridin-1-ium-3-sulfonamide Formula: C17H24N5O4S+ MolecularWeight: 394.46856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S/c1-3-21(4-2)27(25,26)14-9-10-17(20-13-14)19-12-11-18-15-7-5-6-8-16(15)22(23)24/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,19,20)/p+1