N-tert-butyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[(2-pyrrolidin-1-yl-4-pyridyl)methylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[(2-pyrrolidino-4-pyridyl)methylamino]benzenesulfonamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-20(2,3)23-30(28,29)16-6-7-17(18(13-16)25(26)27)22-14-15-8-9-21-19(12-15)24-10-4-5-11-24/h6-9,12-13,22-23H,4-5,10-11,14H2,1-3H3