N-tert-butyl-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[2-(2-pyrazinylamino)ethylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O4S/c1-16(2,3)21-27(25,26)12-4-5-13(14(10-12)22(23)24)18-8-9-20-15-11-17-6-7-19-15/h4-7,10-11,18,21H,8-9H2,1-3H3,(H,19,20)