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

Systemtic Name: phenyl 4-cyclohexyl-4-[(5-methyl-2-oxidanylidene-5-phenoxysulfonyl-3-propan-2-ylsulfonyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-cyclohexyl-4-[(3-isopropylsulfonyl-5-methyl-2-oxo-5-phenoxysulfonyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[(5-methyl-2-oxo-5-phenoxysulfonyl-3-propan-2-ylsulfonyl-1-imidazolidinyl)methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-cyclohexyl-4-[(5-methyl-2-oxo-5-phenoxysulfonyl-3-propan-2-ylsulfonylimidazolidin-1-yl)methyl]piperidine-1-sulfonate Traditional Name: 4-cyclohexyl-4-[(3-isopropylsulfonyl-2-keto-5-methyl-5-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)N1CC(N(C1=O)CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)(C)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)S(=O)(=O)N1CC(N(C1=O)CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)(C)S(=O)(=O)OC5=CC=CC=C5

InChI

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