(7-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (7-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (7-chloro-3-methyl-benzofuran-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (7-chloro-3-methyl-2-benzofuranyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (7-chloro-3-methyl-benzofuran-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H20ClN3O7S MolecularWeight: 493.9174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O7S/c1-13-15-4-3-5-16(22)20(15)32-19(13)21(26)23-8-10-24(11-9-23)33(29,30)14-6-7-18(31-2)17(12-14)25(27)28/h3-7,12H,8-11H2,1-2H3