[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-(2-bromophenyl)sulfonyl-1-piperazinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [4-(2-bromophenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [4-(2-bromophenyl)sulfonylpiperazino]-(2,3,4-trimethoxyphenyl)methanone Formula: C20H23BrN2O6S MolecularWeight: 499.37542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br)OC)OC

InChI

InChI=1S/C20H23BrN2O6S/c1-27-16-9-8-14(18(28-2)19(16)29-3)20(24)22-10-12-23(13-11-22)30(25,26)17-7-5-4-6-15(17)21/h4-9H,10-13H2,1-3H3