1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazine; ethanedioic acid Openeye Name: 1-(benzenesulfonyl)-4-[(5-bromo-2-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(5-bromo-2-methoxy-benzyl)piperazine; oxalic acid Formula: C20H23BrN2O7S MolecularWeight: 515.37482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21BrN2O3S.C2H2O4/c1-24-18-8-7-16(19)13-15(18)14-20-9-11-21(12-10-20)25(22,23)17-5-3-2-4-6-17;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)