N,N-diethyl-3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propan-1-amine; ethanedioic acid

Systemtic Name: N,N-diethyl-3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propan-1-amine; ethanedioic acid Openeye Name: N,N-diethyl-3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propan-1-amine; oxalic acid CAS Name: N,N-diethyl-3-[4-[(2-methyl-1-indolizinyl)sulfonyl]phenoxy]-1-propanamine; oxalic acid IUPAC Name: N,N-diethyl-3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propan-1-amine; oxalic acid Traditional Name: diethyl-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]amine; oxalic acid Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S.C2H2O4/c1-4-23(5-2)14-8-16-27-19-10-12-20(13-11-19)28(25,26)22-18(3)17-24-15-7-6-9-21(22)24;3-1(4)2(5)6/h6-7,9-13,15,17H,4-5,8,14,16H2,1-3H3;(H,3,4)(H,5,6)