3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropyl-propan-1-amine; ethanedioic acid Openeye Name: 3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropyl-propan-1-amine; oxalic acid CAS Name: 3-[4-[(2-butyl-1-indolizinyl)sulfonyl]phenoxy]-N,N-dipropyl-1-propanamine; oxalic acid IUPAC Name: 3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine; oxalic acid Traditional Name: 3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl-dipropyl-amine; oxalic acid Formula: C29H40N2O7S MolecularWeight: 560.7021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(CCC)CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(CCC)CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H38N2O3S.C2H2O4/c1-4-7-11-23-22-29-20-9-8-12-26(29)27(23)33(30,31)25-15-13-24(14-16-25)32-21-10-19-28(17-5-2)18-6-3;3-1(4)2(5)6/h8-9,12-16,20,22H,4-7,10-11,17-19,21H2,1-3H3;(H,3,4)(H,5,6)