(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2,3-dimethylcoumaran-7-yl)-(4-nosylpiperazino)methanone Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6S/c1-14-15(2)30-20-18(14)4-3-5-19(20)21(25)22-10-12-23(13-11-22)31(28,29)17-8-6-16(7-9-17)24(26)27/h3-9,14-15H,10-13H2,1-2H3