N-butyl-N-[3-(4-pyridin-2-ylsulfonylphenoxy)propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-butyl-N-[3-(4-pyridin-2-ylsulfonylphenoxy)propyl]butan-1-amine; ethanedioic acid Openeye Name: N-butyl-N-[3-[4-(2-pyridylsulfonyl)phenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-butyl-N-[3-[4-(2-pyridinylsulfonyl)phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-butyl-N-[3-(4-pyridin-2-ylsulfonylphenoxy)propyl]butan-1-amine; oxalic acid Traditional Name: dibutyl-[3-[4-(2-pyridylsulfonyl)phenoxy]propyl]amine; oxalic acid Formula: C24H34N2O7S MolecularWeight: 494.60096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H32N2O3S.C2H2O4/c1-3-5-16-24(17-6-4-2)18-9-19-27-20-11-13-21(14-12-20)28(25,26)22-10-7-8-15-23-22;3-1(4)2(5)6/h7-8,10-15H,3-6,9,16-19H2,1-2H3;(H,3,4)(H,5,6)