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

Systemtic Name: ethanedioic acid; 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropyl-propan-1-amine Openeye Name: 3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropyl-propan-1-amine; oxalic acid CAS Name: oxalic acid; 3-[4-[(2-propan-2-yl-1-indolizinyl)sulfonyl]phenoxy]-N,N-dipropyl-1-propanamine IUPAC Name: oxalic acid; 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine Traditional Name: 3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propyl-dipropyl-amine; oxalic acid Formula: C28H38N2O7S MolecularWeight: 546.67552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H36N2O3S.C2H2O4/c1-5-15-27(16-6-2)17-9-19-31-22-11-13-23(14-12-22)32(29,30)26-24(21(3)4)20-28-18-8-7-10-25(26)28;3-1(4)2(5)6/h7-8,10-14,18,20-21H,5-6,9,15-17,19H2,1-4H3;(H,3,4)(H,5,6)