phenyl 3-[[4-cyclohexyl-1-(phenylsulfonyl)piperidin-4-yl]methyl]-4-methyl-2-oxidanylidene-4-propan-2-ylsulfonyl-imidazolidine-1-sulfonate

Systemtic Name: phenyl 3-[[4-cyclohexyl-1-(phenylsulfonyl)piperidin-4-yl]methyl]-4-methyl-2-oxidanylidene-4-propan-2-ylsulfonyl-imidazolidine-1-sulfonate Openeye Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidyl]methyl]-4-isopropylsulfonyl-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidinyl]methyl]-4-methyl-2-oxo-4-propan-2-ylsulfonyl-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexylpiperidin-4-yl]methyl]-4-methyl-2-oxo-4-propan-2-ylsulfonylimidazolidine-1-sulfonate Traditional Name: 3-[(1-besyl-4-cyclohexyl-4-piperidyl)methyl]-4-isopropylsulfonyl-2-keto-4-methyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C31H43N3O8S3 MolecularWeight: 681.88342

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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)C3=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)C3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)C

InChI

InChI=1S/C31H43N3O8S3/c1-25(2)43(36,37)30(3)23-34(45(40,41)42-27-15-9-5-10-16-27)29(35)33(30)24-31(26-13-7-4-8-14-26)19-21-32(22-20-31)44(38,39)28-17-11-6-12-18-28/h5-6,9-12,15-18,25-26H,4,7-8,13-14,19-24H2,1-3H3