2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-phenylpropyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-phenylpropyl)ethanamide; ethanedioic acid Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide; oxalic acid CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(3-phenylpropyl)acetamide; oxalic acid IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide; oxalic acid Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-(3-phenylpropyl)acetamide; oxalic acid Formula: C25H33N3O7S MolecularWeight: 519.61042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCCC3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCCC3=CC=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O3S.C2H2O4/c1-19-10-11-22(20(2)17-19)30(28,29)26-15-13-25(14-16-26)18-23(27)24-12-6-9-21-7-4-3-5-8-21;3-1(4)2(5)6/h3-5,7-8,10-11,17H,6,9,12-16,18H2,1-2H3,(H,24,27);(H,3,4)(H,5,6)