(9S)-11-butyl-9-(2-methylpropyl)-3-[(4-methylsulfinylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[(4-methylsulfinylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-isobutyl-3-[(4-methylsulfinylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[(4-methylsulfinylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[(4-methylsulfinylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-isobutyl-3-(4-methylsulfinylbenzyl)-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C24H38ClN3O3S MolecularWeight: 484.09482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)S(=O)C)CC(C)C.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)S(=O)C)CC(C)C.Cl

InChI

InChI=1S/C24H37N3O3S.ClH/c1-5-6-13-27-22(28)21(16-18(2)3)25-23(29)24(27)11-14-26(15-12-24)17-19-7-9-20(10-8-19)31(4)30;/h7-10,18,21H,5-6,11-17H2,1-4H3,(H,25,29);1H/t21-,31?;/m0./s1