phenyl 4-cyclohexyl-4-[[5-methyl-5-(2-methylpropyl)-2-oxidanylidene-3-propan-2-ylsulfonyl-imidazolidin-1-yl]methyl]piperidine-1-sulfonate

Systemtic Name: phenyl 4-cyclohexyl-4-[[5-methyl-5-(2-methylpropyl)-2-oxidanylidene-3-propan-2-ylsulfonyl-imidazolidin-1-yl]methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-cyclohexyl-4-[(5-isobutyl-3-isopropylsulfonyl-5-methyl-2-oxo-imidazolidin-1-yl)methyl]piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[[5-methyl-5-(2-methylpropyl)-2-oxo-3-propan-2-ylsulfonyl-1-imidazolidinyl]methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-cyclohexyl-4-[[5-methyl-5-(2-methylpropyl)-2-oxo-3-propan-2-ylsulfonylimidazolidin-1-yl]methyl]piperidine-1-sulfonate Traditional Name: 4-cyclohexyl-4-[(5-isobutyl-3-isopropylsulfonyl-2-keto-5-methyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonic acid phenyl ester Formula: C29H47N3O6S2 MolecularWeight: 597.82998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)S(=O)(=O)C(C)C)C

Isomeric SMILES

CC(C)CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C29H47N3O6S2/c1-23(2)20-28(5)21-32(39(34,35)24(3)4)27(33)31(28)22-29(25-12-8-6-9-13-25)16-18-30(19-17-29)40(36,37)38-26-14-10-7-11-15-26/h7,10-11,14-15,23-25H,6,8-9,12-13,16-22H2,1-5H3