1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-(3-methylphenoxy)ethanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-15-4-3-5-16(12-15)30-14-20(24)21-8-10-22(11-9-21)31(27,28)17-6-7-19(29-2)18(13-17)23(25)26/h3-7,12-13H,8-11,14H2,1-2H3