(2,5-dimethylthiophen-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,5-dimethylthiophen-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2,5-dimethyl-3-thienyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,5-dimethyl-3-thiophenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,5-dimethylthiophen-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2,5-dimethyl-3-thienyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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