ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(1-naphthylmethyl)piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(1-naphthalenylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(1-naphthylmethyl)piperazine; oxalic acid Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24N2O3S.C2H2O4/c1-27-20-9-11-21(12-10-20)28(25,26)24-15-13-23(14-16-24)17-19-7-4-6-18-5-2-3-8-22(18)19;3-1(4)2(5)6/h2-12H,13-17H2,1H3;(H,3,4)(H,5,6)