(4-chloranyl-3-nitro-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-(4-tosylpiperazino)methanone Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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