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

Systemtic Name: phenyl 1-chloranyl-3-[[4-cyclohexyl-1-(phenylsulfonyl)piperidin-4-yl]methyl]-4-methyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidyl]methyl]-1-chloro-4-methyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidinyl]methyl]-1-chloro-4-methyl-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexylpiperidin-4-yl]methyl]-1-chloro-4-methyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[(1-besyl-4-cyclohexyl-4-piperidyl)methyl]-1-chloro-2-keto-4-methyl-imidazolidine-4-sulfonic acid phenyl ester Formula: C28H36ClN3O6S2 MolecularWeight: 610.18494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4CCCCC4)Cl)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4CCCCC4)Cl)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H36ClN3O6S2/c1-27(40(36,37)38-24-13-7-3-8-14-24)21-32(29)26(33)31(27)22-28(23-11-5-2-6-12-23)17-19-30(20-18-28)39(34,35)25-15-9-4-10-16-25/h3-4,7-10,13-16,23H,2,5-6,11-12,17-22H2,1H3