2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4S/c1-27-15-4-7-17(18(12-15)23(25)26)21-8-10-22(11-9-21)19(24)13-28-16-5-2-14(20)3-6-16/h2-7,12H,8-11,13H2,1H3