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

Systemtic Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-isobutyl-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-isobutyl-3-[4-(4-mesylphenoxy)benzyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C30H42ClN3O5S MolecularWeight: 592.18958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C)CC(C)C.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C)CC(C)C.Cl

InChI

InChI=1S/C30H41N3O5S.ClH/c1-5-6-17-33-28(34)27(20-22(2)3)31-29(35)30(33)15-18-32(19-16-30)21-23-7-9-24(10-8-23)38-25-11-13-26(14-12-25)39(4,36)37;/h7-14,22,27H,5-6,15-21H2,1-4H3,(H,31,35);1H/t27-;/m0./s1