N-(4-methylcyclohexyl)-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(2-pyrimidyl)piperazino]benzenesulfonamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O4S/c1-16-3-5-17(6-4-16)24-32(30,31)18-7-8-19(20(15-18)27(28)29)25-11-13-26(14-12-25)21-22-9-2-10-23-21/h2,7-10,15-17,24H,3-6,11-14H2,1H3