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

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[2-(2-pyrazinylamino)ethylamino]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O4S/c1-14-2-4-15(5-3-14)24-30(28,29)16-6-7-17(18(12-16)25(26)27)21-10-11-23-19-13-20-8-9-22-19/h6-9,12-15,21,24H,2-5,10-11H2,1H3,(H,22,23)