[3-(4-methylphenyl)thiophen-2-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(4-methylphenyl)thiophen-2-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-[3-(p-tolyl)-2-thienyl]methanone CAS Name: [3-(4-methylphenyl)-2-thiophenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(4-methylphenyl)thiophen-2-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(3-nitrophenyl)sulfonylpiperazino]-[3-(p-tolyl)-2-thienyl]methanone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c1-16-5-7-17(8-6-16)20-9-14-31-21(20)22(26)23-10-12-24(13-11-23)32(29,30)19-4-2-3-18(15-19)25(27)28/h2-9,14-15H,10-13H2,1H3