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

Systemtic Name: N,N-diethyl-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(6-pyrrolidin-1-yl-3-pyridyl)amino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(6-pyrrolidino-3-pyridyl)amino]benzenesulfonamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CN=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-3-23(4-2)29(27,28)16-8-9-17(18(13-16)24(25)26)21-15-7-10-19(20-14-15)22-11-5-6-12-22/h7-10,13-14,21H,3-6,11-12H2,1-2H3