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

Systemtic Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[6-(dimethylamino)-3-pyridin-1-iumyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[6-(dimethylamino)pyridin-1-ium-3-yl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H22N5O4S+ MolecularWeight: 380.44198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4S/c1-11(2)19-26(24,25)13-6-7-14(15(9-13)21(22)23)18-12-5-8-16(17-10-12)20(3)4/h5-11,18-19H,1-4H3/p+1