(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-chlorocoumaran-2-yl)-(4-nosylpiperazino)methanone Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O6S/c20-14-1-6-17-13(11-14)12-18(29-17)19(24)21-7-9-22(10-8-21)30(27,28)16-4-2-15(3-5-16)23(25)26/h1-6,11,18H,7-10,12H2