N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride

Systemtic Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride Openeye Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride CAS Name: N-butyl-N-[3-[4-[(2-ethyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine hydrochloride IUPAC Name: N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride Traditional Name: dibutyl-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]amine hydrochloride Formula: C27H39ClN2O3S MolecularWeight: 507.12816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CC.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2CC.Cl

InChI

InChI=1S/C27H38N2O3S.ClH/c1-4-7-17-28(18-8-5-2)19-11-21-32-24-13-15-25(16-14-24)33(30,31)27-23(6-3)22-29-20-10-9-12-26(27)29;/h9-10,12-16,20,22H,4-8,11,17-19,21H2,1-3H3;1H