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

Systemtic Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-brosylpiperazino)methyl]-6-chloro-7-methyl-coumarin Formula: C21H20BrClN2O4S MolecularWeight: 511.8165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C21H20BrClN2O4S/c1-14-10-20-18(12-19(14)23)15(11-21(26)29-20)13-24-6-8-25(9-7-24)30(27,28)17-4-2-16(22)3-5-17/h2-5,10-12H,6-9,13H2,1H3