(5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-methoxy-3-methyl-2-benzofuranyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-14-18-13-16(30-2)6-7-19(18)31-20(14)21(25)22-8-10-23(11-9-22)32(28,29)17-5-3-4-15(12-17)24(26)27/h3-7,12-13H,8-11H2,1-2H3