N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(methylamino)ethanamide; ethanedioic acid Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(methylamino)acetamide; oxalic acid CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(methylamino)acetamide; oxalic acid IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide; oxalic acid Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(methylamino)acetamide; oxalic acid Formula: C16H22ClN3O7S MolecularWeight: 435.87978

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CNCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20ClN3O3S.C2H2O4/c1-16-10-14(19)17-13-9-11(5-6-12(13)15)22(20,21)18-7-3-2-4-8-18;3-1(4)2(5)6/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19);(H,3,4)(H,5,6)