[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: (5-nitro-2-thienyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: (5-nitro-2-thienyl)-(4-tosylpiperazino)methanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

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