N,N-diethyl-3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidino]benzenesulfonamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H]2C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-3-21(4-2)28(26,27)16-9-10-18(19(13-16)23(24)25)22-12-6-8-17(22)15-7-5-11-20-14-15/h5,7,9-11,13-14,17H,3-4,6,8,12H2,1-2H3/t17-/m0/s1