1-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]propan-1-one Openeye Name: 1-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]propan-1-one CAS Name: 1-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]propan-1-one Traditional Name: 1-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]phenyl]propan-1-one Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-3-19(24)15-4-6-16(7-5-15)29-20-9-8-17(14-18(20)23(25)26)30(27,28)22-12-10-21(2)11-13-22/h4-9,14H,3,10-13H2,1-2H3