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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-19(2,3)21-28(26,27)15-8-9-17(18(12-15)23(24)25)22-11-5-7-16(22)14-6-4-10-20-13-14/h4,6,8-10,12-13,16,21H,5,7,11H2,1-3H3/t16-/m0/s1