(5-methyl-4-nitro-thiophen-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-methyl-4-nitro-thiophen-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-methyl-4-nitro-2-thienyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-methyl-4-nitro-2-thiophenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-methyl-4-nitrothiophen-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-methyl-4-nitro-2-thienyl)-(4-tosylpiperazino)methanone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-12-3-5-14(6-4-12)27(24,25)19-9-7-18(8-10-19)17(21)16-11-15(20(22)23)13(2)26-16/h3-6,11H,7-10H2,1-2H3