(9R)-11-butyl-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-(1H-pyrazol-4-yl)methyl]-9-[(1R)-2-methyl-1-oxidanyl-propyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione

Systemtic Name: (9R)-11-butyl-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-(1H-pyrazol-4-yl)methyl]-9-[(1R)-2-methyl-1-oxidanyl-propyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione Openeye Name: (9R)-11-butyl-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-(1H-pyrazol-4-yl)methyl]-9-[(1R)-1-hydroxy-2-methyl-propyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione CAS Name: (9R)-11-butyl-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-(1H-pyrazol-4-yl)methyl]-9-[(1R)-1-hydroxy-2-methylpropyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione IUPAC Name: (9R)-11-butyl-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-(1H-pyrazol-4-yl)methyl]-9-[(1R)-1-hydroxy-2-methylpropyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione Traditional Name: (9R)-11-butyl-3-[[3,5-dimethyl-4-(4-methylpiperazino)sulfonyl-phenyl]-(1H-pyrazol-4-yl)methyl]-9-[(1R)-1-hydroxy-2-methyl-propyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone Formula: C33H51N7O5S MolecularWeight: 657.86694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(C3=CC(=C(C(=C3)C)S(=O)(=O)N4CCN(CC4)C)C)C5=CNN=C5)C(C(C)C)O

Isomeric SMILES

CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)C(C3=CC(=C(C(=C3)C)S(=O)(=O)N4CCN(CC4)C)C)C5=CNN=C5)[C@@H](C(C)C)O

InChI

InChI=1S/C33H51N7O5S/c1-7-8-11-40-31(42)27(29(41)22(2)3)36-32(43)33(40)9-12-38(13-10-33)28(26-20-34-35-21-26)25-18-23(4)30(24(5)19-25)46(44,45)39-16-14-37(6)15-17-39/h18-22,27-29,41H,7-17H2,1-6H3,(H,34,35)(H,36,43)/t27-,28?,29-/m1/s1