ethanedioic acid; 1-(4-methoxyphenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine Openeye Name: 1-[4-(benzenesulfonyl)-4-phenyl-butyl]-4-(4-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(4-methoxyphenyl)piperazine; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(4-methoxyphenyl)piperazine; oxalic acid Traditional Name: 1-(4-besyl-4-phenyl-butyl)-4-(4-methoxyphenyl)piperazine; oxalic acid Formula: C29H34N2O7S MolecularWeight: 554.65446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCC(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCC(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O3S.C2H2O4/c1-32-25-16-14-24(15-17-25)29-21-19-28(20-22-29)18-8-13-27(23-9-4-2-5-10-23)33(30,31)26-11-6-3-7-12-26;3-1(4)2(5)6/h2-7,9-12,14-17,27H,8,13,18-22H2,1H3;(H,3,4)(H,5,6)