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

Systemtic Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; ethanedioic acid Openeye Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-butyl-N-[3-[4-[(2-ethyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid Traditional Name: dibutyl-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]amine; oxalic acid Formula: C29H40N2O7S MolecularWeight: 560.7021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3S.C2H2O4/c1-4-7-17-28(18-8-5-2)19-11-21-32-24-13-15-25(16-14-24)33(30,31)27-23(6-3)22-29-20-10-9-12-26(27)29;3-1(4)2(5)6/h9-10,12-16,20,22H,4-8,11,17-19,21H2,1-3H3;(H,3,4)(H,5,6)