4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[(4-brosylpiperazino)methyl]-6,7-dimethyl-coumarin Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H23BrN2O4S/c1-15-11-20-17(13-22(26)29-21(20)12-16(15)2)14-24-7-9-25(10-8-24)30(27,28)19-5-3-18(23)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3