[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(4-chlorophenyl)sulfonylpiperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-13-2-3-14(12-17(13)22(24)25)18(23)20-8-10-21(11-9-20)28(26,27)16-6-4-15(19)5-7-16/h2-7,12H,8-11H2,1H3