1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c29-28(30)23-17-21(34(31,32)27-9-2-1-3-10-27)5-6-22(23)26-13-11-25(12-14-26)18-19-4-7-24-20(16-19)8-15-33-24/h4-7,16-17H,1-3,8-15,18H2