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

Systemtic Name: (7-chloranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (7-chloro-3-methyl-benzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (7-chloro-3-methyl-2-benzofuranyl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (7-chloro-3-methyl-benzofuran-2-yl)-(4-nosylpiperazino)methanone Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O6S/c1-13-16-3-2-4-17(21)19(16)30-18(13)20(25)22-9-11-23(12-10-22)31(28,29)15-7-5-14(6-8-15)24(26)27/h2-8H,9-12H2,1H3