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

Systemtic Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[[4-(4-methylsulfonylphenoxy)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-(cyclohexylmethyl)-3-[4-(4-mesylphenoxy)benzyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C33H46ClN3O5S MolecularWeight: 632.25344

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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)CC5CCCCC5.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)CC5CCCCC5.Cl

InChI

InChI=1S/C33H45N3O5S.ClH/c1-3-4-20-36-31(37)30(23-25-8-6-5-7-9-25)34-32(38)33(36)18-21-35(22-19-33)24-26-10-12-27(13-11-26)41-28-14-16-29(17-15-28)42(2,39)40;/h10-17,25,30H,3-9,18-24H2,1-2H3,(H,34,38);1H/t30-;/m0./s1