1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-(2-thienyl)propan-1-one CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-3-(2-thienyl)propan-1-one Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-28(25,26)15-5-6-16(17(13-15)21(23)24)19-8-10-20(11-9-19)18(22)7-4-14-3-2-12-27-14/h2-3,5-6,12-13H,4,7-11H2,1H3