N-tert-butyl-4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(4-cyano-2-pyridyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(4-cyano-2-pyridyl)piperazino]-3-nitro-benzenesulfonamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S/c1-20(2,3)23-31(29,30)16-4-5-17(18(13-16)26(27)28)24-8-10-25(11-9-24)19-12-15(14-21)6-7-22-19/h4-7,12-13,23H,8-11H2,1-3H3