N-butyl-N-[3-[4-(phenylsulfonyl)phenoxy]propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-butyl-N-[3-[4-(phenylsulfonyl)phenoxy]propyl]butan-1-amine; ethanedioic acid Openeye Name: N-[3-[4-(benzenesulfonyl)phenoxy]propyl]-N-butyl-butan-1-amine; oxalic acid CAS Name: N-[3-[4-(benzenesulfonyl)phenoxy]propyl]-N-butyl-1-butanamine; oxalic acid IUPAC Name: N-[3-[4-(benzenesulfonyl)phenoxy]propyl]-N-butylbutan-1-amine; oxalic acid Traditional Name: 3-(4-besylphenoxy)propyl-dibutyl-amine; oxalic acid Formula: C25H35NO7S MolecularWeight: 493.6129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3S.C2H2O4/c1-3-5-17-24(18-6-4-2)19-10-20-27-21-13-15-23(16-14-21)28(25,26)22-11-8-7-9-12-22;3-1(4)2(5)6/h7-9,11-16H,3-6,10,17-20H2,1-2H3;(H,3,4)(H,5,6)