2-(5-chloranyl-2-methoxy-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c1-29-18-6-5-15(20)11-14(18)12-19(24)21-7-9-22(10-8-21)30(27,28)17-4-2-3-16(13-17)23(25)26/h2-6,11,13H,7-10,12H2,1H3