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

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-thiophen-3-yl-methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-(3-thienyl)methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-(3-thiophenyl)methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-thiophen-3-ylmethanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-(3-thienyl)methanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S2/c1-26(23,24)13-2-3-14(15(10-13)19(21)22)17-5-7-18(8-6-17)16(20)12-4-9-25-11-12/h2-4,9-11H,5-8H2,1H3