[4-(3-methylbutoxy)phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-methylbutoxy)phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-isopentyloxyphenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [4-(3-methylbutoxy)phenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylbutoxy)phenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-isoamoxyphenyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O6S/c1-17(2)10-15-32-19-6-4-18(5-7-19)23(27)25-13-11-24(12-14-25)21-9-8-20(33(3,30)31)16-22(21)26(28)29/h4-9,16-17H,10-15H2,1-3H3