5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]thiophene-2-carbaldehyde

Systemtic Name: 5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]thiophene-2-carbaldehyde Openeye Name: 5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]thiophene-2-carbaldehyde CAS Name: 5-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]thiophene-2-carbaldehyde Traditional Name: 5-[4-(4-mesyl-2-nitro-phenyl)piperazino]thiophene-2-carbaldehyde 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)C3=CC=C(S3)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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