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

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanone Openeye Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)methanone IUPAC Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanone Traditional Name: [4-(3-bromophenyl)sulfonylpiperazino]-(2,3-dimethylcoumaran-7-yl)methanone Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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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(=CC=C4)Br)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C21H23BrN2O4S/c1-14-15(2)28-20-18(14)7-4-8-19(20)21(25)23-9-11-24(12-10-23)29(26,27)17-6-3-5-16(22)13-17/h3-8,13-15H,9-12H2,1-2H3