1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-nosyl-piperazine Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-22(24)17-2-4-18(5-3-17)28(25,26)21-10-8-20(9-11-21)14-15-1-6-19-16(13-15)7-12-27-19/h1-6,13H,7-12,14H2