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

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-4-(2-thienyl)butan-1-one Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S2/c1-29(26,27)16-7-8-17(18(14-16)22(24)25)20-9-11-21(12-10-20)19(23)6-2-4-15-5-3-13-28-15/h3,5,7-8,13-14H,2,4,6,9-12H2,1H3