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

Systemtic Name: N-butyl-N-[3-[4-(2-phenylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride Openeye Name: N-butyl-N-[3-[4-(2-phenylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride CAS Name: N-butyl-N-[3-[4-[(2-phenyl-1-indolizinyl)sulfonyl]phenoxy]propyl]-1-butanamine hydrochloride IUPAC Name: N-butyl-N-[3-[4-(2-phenylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine hydrochloride Traditional Name: dibutyl-[3-[4-(2-phenylindolizin-1-yl)sulfonylphenoxy]propyl]amine hydrochloride Formula: C31H39ClN2O3S MolecularWeight: 555.17096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O3S.ClH/c1-3-5-20-32(21-6-4-2)22-12-24-36-27-16-18-28(19-17-27)37(34,35)31-29(26-13-8-7-9-14-26)25-33-23-11-10-15-30(31)33;/h7-11,13-19,23,25H,3-6,12,20-22,24H2,1-2H3;1H