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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-15-11-19(24(25)26)13-21(16(15)2)30(27,28)23-8-6-22(7-9-23)14-17-3-4-20-18(12-17)5-10-29-20/h3-4,11-13H,5-10,14H2,1-2H3