[4-(2,5-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(oxolan-2-ylmethylsulfonyl)phenyl]methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(oxolan-2-ylmethylsulfonyl)phenyl]methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(tetrahydrofuran-2-ylmethylsulfonyl)phenyl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[3-nitro-4-(2-oxolanylmethylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[3-nitro-4-(oxolan-2-ylmethylsulfonyl)phenyl]methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[3-nitro-4-(tetrahydrofurfurylsulfonyl)phenyl]methanone Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)CC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)CC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O6S/c1-17-5-6-18(2)21(14-17)25-9-11-26(12-10-25)24(28)19-7-8-23(22(15-19)27(29)30)34(31,32)16-20-4-3-13-33-20/h5-8,14-15,20H,3-4,9-13,16H2,1-2H3