3-(4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-29-17-9-6-16(7-10-17)8-11-20(24)21-12-14-22(15-13-21)30(27,28)19-5-3-2-4-18(19)23(25)26/h2-7,9-10H,8,11-15H2,1H3