(2-methoxy-5-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-p-cumenylsulfonylpiperazino)methanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15(2)16-4-7-18(8-5-16)31(28,29)23-12-10-22(11-13-23)21(25)19-14-17(24(26)27)6-9-20(19)30-3/h4-9,14-15H,10-13H2,1-3H3