ethanedioic acid; 2-(phenethylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-(phenethylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: oxalic acid; 2-(phenethylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: oxalic acid; 2-(phenethylamino)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: oxalic acid; 2-(phenethylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: oxalic acid; 2-(phenethylamino)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O3S.C2H2O4/c24-20(16-21-12-11-17-7-2-1-3-8-17)22-18-9-6-10-19(15-18)27(25,26)23-13-4-5-14-23;3-1(4)2(5)6/h1-3,6-10,15,21H,4-5,11-14,16H2,(H,22,24);(H,3,4)(H,5,6)