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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

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