ethanedioic acid; N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine Openeye Name: N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-[3-[4-[(2-ethyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid Traditional Name: butyl-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]amine; oxalic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O3S.C2H2O4/c1-3-5-14-24-15-8-17-28-20-10-12-21(13-11-20)29(26,27)23-19(4-2)18-25-16-7-6-9-22(23)25;3-1(4)2(5)6/h6-7,9-13,16,18,24H,3-5,8,14-15,17H2,1-2H3;(H,3,4)(H,5,6)