1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-4-(3-methylphenoxy)butan-1-one Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-17-5-3-6-18(15-17)32-14-4-7-22(26)23-10-12-24(13-11-23)33(29,30)19-8-9-21(31-2)20(16-19)25(27)28/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3