(5-methyl-4-nitro-thiophen-2-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (5-methyl-4-nitro-thiophen-2-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(5-methyl-4-nitro-2-thiophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: (4-besylpiperazino)-(5-methyl-4-nitro-2-thienyl)methanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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