2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-methyl-2-nitro-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-methyl-2-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-methyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(4-methyl-2-nitro-phenoxy)propan-1-one Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-15-8-9-19(18(14-15)23(25)26)29-16(2)20(24)21-10-12-22(13-11-21)30(27,28)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3