butan-1-amine; 8-methyl-2-propan-2-yl-1-(4-propoxyphenyl)sulfonyl-indolizine; hydrochloride

Systemtic Name: butan-1-amine; 8-methyl-2-propan-2-yl-1-(4-propoxyphenyl)sulfonyl-indolizine; hydrochloride Openeye Name: butan-1-amine; 2-isopropyl-8-methyl-1-(4-propoxyphenyl)sulfonyl-indolizine; hydrochloride CAS Name: 1-butanamine; 8-methyl-2-propan-2-yl-1-(4-propoxyphenyl)sulfonylindolizine; hydrochloride IUPAC Name: butan-1-amine; 8-methyl-2-propan-2-yl-1-(4-propoxyphenyl)sulfonylindolizine; hydrochloride Traditional Name: butylamine; 2-isopropyl-8-methyl-1-(4-propoxyphenyl)sulfonyl-indolizine; hydrochloride Formula: C25H37ClN2O3S MolecularWeight: 481.09088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S.C4H11N.ClH/c1-5-13-25-17-8-10-18(11-9-17)26(23,24)21-19(15(2)3)14-22-12-6-7-16(4)20(21)22;1-2-3-4-5;/h6-12,14-15H,5,13H2,1-4H3;2-5H2,1H3;1H