N-tert-butyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H32N6O4S MolecularWeight: 476.59228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O4S/c1-15(2)21-23-16(3)13-20(24-21)27-11-9-26(10-12-27)18-8-7-17(14-19(18)28(29)30)33(31,32)25-22(4,5)6/h7-8,13-15,25H,9-12H2,1-6H3