3-(3,4-dimethylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-16-6-7-19(14-17(16)2)30-13-8-21(25)22-9-11-23(12-10-22)31(28,29)20-5-3-4-18(15-20)24(26)27/h3-7,14-15H,8-13H2,1-2H3