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

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(5-nitro-2-thienyl)methanone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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

Isomeric SMILES

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

InChI

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