4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[6-(dimethylamino)-3-pyridin-1-iumyl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C17H24N5O5S+ MolecularWeight: 410.46796

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S/c1-12(11-27-4)20-28(25,26)14-6-7-15(16(9-14)22(23)24)19-13-5-8-17(18-10-13)21(2)3/h5-10,12,19-20H,11H2,1-4H3/p+1/t12-/m0/s1