1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c22-18(8-2-5-16-6-3-13-27-16)19-9-11-20(12-10-19)28(25,26)17-7-1-4-15(14-17)21(23)24/h1,3-4,6-7,13-14H,2,5,8-12H2