1-(dibutylamino)-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-2-ol hydrochloride

Systemtic Name: 1-(dibutylamino)-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-2-ol hydrochloride Openeye Name: 1-(dibutylamino)-3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propan-2-ol hydrochloride CAS Name: 1-(dibutylamino)-3-[4-[(2-propan-2-yl-1-indolizinyl)sulfonyl]phenoxy]-2-propanol hydrochloride IUPAC Name: 1-(dibutylamino)-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-2-ol hydrochloride Traditional Name: 1-(dibutylamino)-3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propan-2-ol hydrochloride Formula: C28H41ClN2O4S MolecularWeight: 537.15414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(COC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C(C)C)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC(COC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=CN3C=C2C(C)C)O.Cl

InChI

InChI=1S/C28H40N2O4S.ClH/c1-5-7-16-29(17-8-6-2)19-23(31)21-34-24-12-14-25(15-13-24)35(32,33)28-26(22(3)4)20-30-18-10-9-11-27(28)30;/h9-15,18,20,22-23,31H,5-8,16-17,19,21H2,1-4H3;1H