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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylpropylamino)ethanamide; ethanedioic acid Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(isobutylamino)acetamide; oxalic acid CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(2-methylpropylamino)acetamide; oxalic acid IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-methylpropylamino)acetamide; oxalic acid Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(isobutylamino)acetamide; oxalic acid Formula: C19H28ClN3O7S MolecularWeight: 477.95952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O3S.C2H2O4/c1-13(2)11-19-12-17(22)20-16-10-14(6-7-15(16)18)25(23,24)21-8-4-3-5-9-21;3-1(4)2(5)6/h6-7,10,13,19H,3-5,8-9,11-12H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)