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

Systemtic Name: (2,5-dimethylthiophen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2,5-dimethyl-3-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,5-dimethyl-3-thiophenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,5-dimethylthiophen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2,5-dimethyl-3-thienyl)-[4-(3-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/c1-12-10-16(13(2)26-12)17(21)18-6-8-19(9-7-18)27(24,25)15-5-3-4-14(11-15)20(22)23/h3-5,10-11H,6-9H2,1-2H3