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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(2-naphthylsulfonyl)piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(2-naphthylsulfonyl)piperazine; oxalic acid Formula: C24H25BrN2O7S MolecularWeight: 565.4335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H23BrN2O3S.C2H2O4/c1-28-22-9-7-20(23)14-19(22)16-24-10-12-25(13-11-24)29(26,27)21-8-6-17-4-2-3-5-18(17)15-21;3-1(4)2(5)6/h2-9,14-15H,10-13,16H2,1H3;(H,3,4)(H,5,6)