3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-(4-brosylpiperazine-1-carbonyl)-3-methyl-isochroman-1-one Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O5S/c1-21(14-15-4-2-3-5-18(15)19(25)29-21)20(26)23-10-12-24(13-11-23)30(27,28)17-8-6-16(22)7-9-17/h2-9H,10-14H2,1H3