1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H23N3O5S/c1-15-2-4-18(23(24)25)13-20(15)29(26,27)22-9-7-21(8-10-22)14-16-3-5-19-17(12-16)6-11-28-19/h2-5,12-13H,6-11,14H2,1H3