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

Systemtic Name: ethanedioic acid; N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-N-methyl-butan-1-amine Openeye Name: N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-N-methyl-butan-1-amine; oxalic acid CAS Name: N-[3-[4-[(2-ethyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-N-methyl-1-butanamine; oxalic acid IUPAC Name: N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-N-methylbutan-1-amine; oxalic acid Traditional Name: butyl-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-methyl-amine; oxalic acid Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(C)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O3S.C2H2O4/c1-4-6-15-25(3)16-9-18-29-21-11-13-22(14-12-21)30(27,28)24-20(5-2)19-26-17-8-7-10-23(24)26;3-1(4)2(5)6/h7-8,10-14,17,19H,4-6,9,15-16,18H2,1-3H3;(H,3,4)(H,5,6)