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

Systemtic Name: N-butyl-N-[3-[4-(2-propylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; ethanedioic acid Openeye Name: N-butyl-N-[3-[4-(2-propylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid CAS Name: N-butyl-N-[3-[4-[(2-propyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine; oxalic acid IUPAC Name: N-butyl-N-[3-[4-(2-propylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine; oxalic acid Traditional Name: dibutyl-[3-[4-(2-propylindolizin-1-yl)sulfonylphenoxy]propyl]amine; oxalic acid Formula: C30H42N2O7S MolecularWeight: 574.72868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H40N2O3S.C2H2O4/c1-4-7-18-29(19-8-5-2)20-11-22-33-25-14-16-26(17-15-25)34(31,32)28-24(12-6-3)23-30-21-10-9-13-27(28)30;3-1(4)2(5)6/h9-10,13-17,21,23H,4-8,11-12,18-20,22H2,1-3H3;(H,3,4)(H,5,6)