2-(4-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-methylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]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/c1-15-7-9-17(10-8-15)29-16(2)20(24)21-11-13-22(14-12-21)30(27,28)19-6-4-3-5-18(19)23(25)26/h3-10,16H,11-14H2,1-2H3