N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfinylphenoxy]propyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfinylphenoxy]propyl]butan-1-amine; ethanedioic acid Openeye Name: N-butyl-N-[3-[4-(2-isopropylindolizin-1-yl)sulfinylphenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-butyl-N-[3-[4-[(2-propan-2-yl-1-indolizinyl)sulfinyl]phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfinylphenoxy]propyl]butan-1-amine; oxalic acid Traditional Name: dibutyl-[3-[4-(2-isopropylindolizin-1-yl)sulfinylphenoxy]propyl]amine; oxalic acid Formula: C30H42N2O6S MolecularWeight: 558.72928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)C2=C3C=CC=CN3C=C2C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)C2=C3C=CC=CN3C=C2C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H40N2O2S.C2H2O4/c1-5-7-17-29(18-8-6-2)19-11-21-32-24-13-15-25(16-14-24)33(31)28-26(23(3)4)22-30-20-10-9-12-27(28)30;3-1(4)2(5)6/h9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3;(H,3,4)(H,5,6)