ethanedioic acid; N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: oxalic acid; N-[4-[(4-pyrrolidin-1-yl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: oxalic acid; N-[4-[[4-(1-pyrrolidinyl)-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: oxalic acid; N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: oxalic acid; N-[4-(4-pyrrolidinopiperidino)sulfonylphenyl]acetamide Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O3S.C2H2O4/c1-14(21)18-15-4-6-17(7-5-15)24(22,23)20-12-8-16(9-13-20)19-10-2-3-11-19;3-1(4)2(5)6/h4-7,16H,2-3,8-13H2,1H3,(H,18,21);(H,3,4)(H,5,6)