2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-14-12-16(21)6-7-19(14)30-15(2)20(25)22-8-10-23(11-9-22)31(28,29)18-5-3-4-17(13-18)24(26)27/h3-7,12-13,15H,8-11H2,1-2H3