[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone Openeye Name: [4-[(2-nitrophenoxy)methyl]-2-thienyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[4-[(2-nitrophenoxy)methyl]-2-thiophenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone Traditional Name: [4-[(2-nitrophenoxy)methyl]-2-thienyl]-(4-tosylpiperazino)methanone Formula: C23H23N3O6S2 MolecularWeight: 501.57522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CS3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CS3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6S2/c1-17-6-8-19(9-7-17)34(30,31)25-12-10-24(11-13-25)23(27)22-14-18(16-33-22)15-32-21-5-3-2-4-20(21)26(28)29/h2-9,14,16H,10-13,15H2,1H3