(3-methyl-4-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-(4-p-cumenylsulfonylpiperazino)methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-15(2)17-4-7-19(8-5-17)30(28,29)23-12-10-22(11-13-23)21(25)18-6-9-20(24(26)27)16(3)14-18/h4-9,14-15H,10-13H2,1-3H3