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

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(5-methyl-4-nitro-2-thiophenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(5-methyl-4-nitro-2-thienyl)methanone Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-12-4-5-13(2)17(10-12)28(25,26)20-8-6-19(7-9-20)18(22)16-11-15(21(23)24)14(3)27-16/h4-5,10-11H,6-9H2,1-3H3