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

Systemtic Name: phenyl 4-cyclohexyl-4-[(5-methyl-2-oxidanylidene-3-phenoxysulfonyl-5-propan-2-ylsulfonyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-cyclohexyl-4-[(5-isopropylsulfonyl-5-methyl-2-oxo-3-phenoxysulfonyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[(5-methyl-2-oxo-3-phenoxysulfonyl-5-propan-2-ylsulfonyl-1-imidazolidinyl)methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-cyclohexyl-4-[(5-methyl-2-oxo-3-phenoxysulfonyl-5-propan-2-ylsulfonylimidazolidin-1-yl)methyl]piperidine-1-sulfonate Traditional Name: 4-cyclohexyl-4-[(5-isopropylsulfonyl-2-keto-5-methyl-3-phenoxysulfonyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonic acid phenyl ester Formula: C31H43N3O9S3 MolecularWeight: 697.88282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)C

Isomeric SMILES

CC(C)S(=O)(=O)C1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)C

InChI

InChI=1S/C31H43N3O9S3/c1-25(2)44(36,37)30(3)23-34(46(40,41)43-28-17-11-6-12-18-28)29(35)33(30)24-31(26-13-7-4-8-14-26)19-21-32(22-20-31)45(38,39)42-27-15-9-5-10-16-27/h5-6,9-12,15-18,25-26H,4,7-8,13-14,19-24H2,1-3H3