1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S2/c1-15-4-9-20(16(2)14-15)31(28,29)23-12-10-22(11-13-23)21(25)17(3)30-19-7-5-18(6-8-19)24(26)27/h4-9,14,17H,10-13H2,1-3H3