N-butyl-N-[3-[2-methyl-4-(2-phenylindolizin-1-yl)sulfonyl-phenoxy]propyl]butan-1-amine hydrochloride

Systemtic Name: N-butyl-N-[3-[2-methyl-4-(2-phenylindolizin-1-yl)sulfonyl-phenoxy]propyl]butan-1-amine hydrochloride Openeye Name: N-butyl-N-[3-[2-methyl-4-(2-phenylindolizin-1-yl)sulfonyl-phenoxy]propyl]butan-1-amine hydrochloride CAS Name: N-butyl-N-[3-[2-methyl-4-[(2-phenyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine hydrochloride IUPAC Name: N-butyl-N-[3-[2-methyl-4-(2-phenylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride Traditional Name: dibutyl-[3-[2-methyl-4-(2-phenylindolizin-1-yl)sulfonyl-phenoxy]propyl]amine hydrochloride Formula: C32H41ClN2O3S MolecularWeight: 569.19754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=C(C=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C4=CC=CC=C4)C.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC1=C(C=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C4=CC=CC=C4)C.Cl

InChI

InChI=1S/C32H40N2O3S.ClH/c1-4-6-19-33(20-7-5-2)21-13-23-37-31-18-17-28(24-26(31)3)38(35,36)32-29(27-14-9-8-10-15-27)25-34-22-12-11-16-30(32)34;/h8-12,14-18,22,24-25H,4-7,13,19-21,23H2,1-3H3;1H