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

Systemtic Name: N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; ethanedioic acid Openeye Name: N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-butyl-N-[3-[4-[(2-methyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid Traditional Name: dibutyl-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]amine; oxalic acid Formula: C28H38N2O7S MolecularWeight: 546.67552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3S.C2H2O4/c1-4-6-16-27(17-7-5-2)18-10-20-31-23-12-14-24(15-13-23)32(29,30)26-22(3)21-28-19-9-8-11-25(26)28;3-1(4)2(5)6/h8-9,11-15,19,21H,4-7,10,16-18,20H2,1-3H3;(H,3,4)(H,5,6)