N-[4-(4-cyclooctylpiperazin-1-yl)sulfonylphenyl]ethanamide; ethanedioic acid

Systemtic Name: N-[4-(4-cyclooctylpiperazin-1-yl)sulfonylphenyl]ethanamide; ethanedioic acid Openeye Name: N-[4-(4-cyclooctylpiperazin-1-yl)sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[(4-cyclooctyl-1-piperazinyl)sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-(4-cyclooctylpiperazin-1-yl)sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-(4-cyclooctylpiperazino)sulfonylphenyl]acetamide; oxalic acid Formula: C22H33N3O7S MolecularWeight: 483.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31N3O3S.C2H2O4/c1-17(24)21-18-9-11-20(12-10-18)27(25,26)23-15-13-22(14-16-23)19-7-5-3-2-4-6-8-19;3-1(4)2(5)6/h9-12,19H,2-8,13-16H2,1H3,(H,21,24);(H,3,4)(H,5,6)