ethanedioic acid; N-[4-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(3-benzoxy-4-methoxy-benzyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C29H33N3O9S MolecularWeight: 599.65202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O5S.C2H2O4/c1-21(31)28-24-9-11-25(12-10-24)36(32,33)30-16-14-29(15-17-30)19-23-8-13-26(34-2)27(18-23)35-20-22-6-4-3-5-7-22;3-1(4)2(5)6/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31);(H,3,4)(H,5,6)