(7-bromanyl-1-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (7-bromanyl-1-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (7-bromobenzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (7-bromo-2-benzofuranyl)-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (7-bromo-1-benzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (7-bromobenzofuran-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C(=CC=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(O3)C(=CC=C4)Br)C

InChI

InChI=1S/C21H21BrN2O4S/c1-14-6-7-17(12-15(14)2)29(26,27)24-10-8-23(9-11-24)21(25)19-13-16-4-3-5-18(22)20(16)28-19/h3-7,12-13H,8-11H2,1-2H3