ethanedioic acid; N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(pentan-3-ylamino)ethanamide

Systemtic Name: ethanedioic acid; N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(pentan-3-ylamino)ethanamide Openeye Name: 2-(1-ethylpropylamino)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide; oxalic acid CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(pentan-3-ylamino)acetamide; oxalic acid IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(pentan-3-ylamino)acetamide; oxalic acid Traditional Name: 2-(1-ethylpropylamino)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide; oxalic acid Formula: C21H33N3O8S MolecularWeight: 487.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31N3O4S.C2H2O4/c1-4-15(5-2)20-14-19(23)21-16-9-10-17(26-3)18(13-16)27(24,25)22-11-7-6-8-12-22;3-1(4)2(5)6/h9-10,13,15,20H,4-8,11-12,14H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)