[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S2/c1-29-18-7-6-14(12-17(18)23(25)26)31(27,28)22-10-8-21(9-11-22)20(24)16-13-30-19-5-3-2-4-15(16)19/h6-7,12-13H,2-5,8-11H2,1H3