2-(3-chloranylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C20H22ClN3O7S MolecularWeight: 483.92258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O7S/c1-14(31-16-5-3-4-15(21)12-16)20(25)22-8-10-23(11-9-22)32(28,29)17-6-7-19(30-2)18(13-17)24(26)27/h3-7,12-14H,8-11H2,1-2H3