N-methyl-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]amino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(6-pyrrolidinopyridin-1-ium-3-yl)amino]benzenesulfonamide Formula: C16H20N5O4S+ MolecularWeight: 378.4261

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-17-26(24,25)13-5-6-14(15(10-13)21(22)23)19-12-4-7-16(18-11-12)20-8-2-3-9-20/h4-7,10-11,17,19H,2-3,8-9H2,1H3/p+1