(2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: (2R)-2-[(4-chlorophenyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: (2R)-2-[(4-chlorophenyl)thio]-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O3S/c1-14(27-18-8-2-15(20)3-9-18)19(24)22-12-10-21(11-13-22)16-4-6-17(7-5-16)23(25)26/h2-9,14H,10-13H2,1H3/t14-/m1/s1