ethanedioic acid; 1-(2-methoxyphenyl)-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[1-(2-naphthylsulfonyl)-4-piperidyl]piperazine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-4-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)-4-[1-(2-naphthylsulfonyl)-4-piperidyl]piperazine; oxalic acid Formula: C28H33N3O7S MolecularWeight: 555.64252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3O3S.C2H2O4/c1-32-26-9-5-4-8-25(26)28-18-16-27(17-19-28)23-12-14-29(15-13-23)33(30,31)24-11-10-21-6-2-3-7-22(21)20-24;3-1(4)2(5)6/h2-11,20,23H,12-19H2,1H3;(H,3,4)(H,5,6)