ethanedioic acid; 3-[(4-ethanoylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-4-yl]propanamide

Systemtic Name: ethanedioic acid; 3-[(4-ethanoylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-4-yl]propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzyl-4-piperidyl)propanamide; oxalic acid CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[1-(phenylmethyl)-4-piperidinyl]propanamide; oxalic acid IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzylpiperidin-4-yl)propanamide; oxalic acid Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-(1-benzyl-4-piperidyl)propionamide; oxalic acid Formula: C25H31N3O8S MolecularWeight: 533.59394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O4S.C2H2O4/c1-18(27)20-7-9-22(10-8-20)31(29,30)24-14-11-23(28)25-21-12-15-26(16-13-21)17-19-5-3-2-4-6-19;3-1(4)2(5)6/h2-10,21,24H,11-17H2,1H3,(H,25,28);(H,3,4)(H,5,6)