ethanedioic acid; N-[4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(1-naphthylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-(1-naphthalenylmethyl)-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(1-naphthylmethyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C25H27N3O7S MolecularWeight: 513.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O3S.C2H2O4/c1-18(27)24-21-9-11-22(12-10-21)30(28,29)26-15-13-25(14-16-26)17-20-7-4-6-19-5-2-3-8-23(19)20;3-1(4)2(5)6/h2-12H,13-17H2,1H3,(H,24,27);(H,3,4)(H,5,6)