2-(3-ethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-ethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-ethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-ethylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-ethylphenoxy)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-ethylphenoxy)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-3-17-5-4-6-19(13-17)30-15-21(25)22-9-11-23(12-10-22)31(28,29)20-14-18(24(26)27)8-7-16(20)2/h4-8,13-14H,3,9-12,15H2,1-2H3