(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: (4-besylpiperazino)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-3-28-19-17(21)13-15(14-18(19)27-2)20(24)22-9-11-23(12-10-22)29(25,26)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3