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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-propan-2-ylsulfonyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-propyl-imidazolidine-1-sulfonate Openeye Name: phenyl 3-[(4-cyclohexyl-1-isopropylsulfonyl-4-piperidyl)methyl]-4-methyl-2-oxo-4-propyl-imidazolidine-1-sulfonate CAS Name: 3-[(4-cyclohexyl-1-propan-2-ylsulfonyl-4-piperidinyl)methyl]-4-methyl-2-oxo-4-propyl-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(4-cyclohexyl-1-propan-2-ylsulfonylpiperidin-4-yl)methyl]-4-methyl-2-oxo-4-propylimidazolidine-1-sulfonate Traditional Name: 3-[(4-cyclohexyl-1-isopropylsulfonyl-4-piperidyl)methyl]-2-keto-4-methyl-4-propyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C28H45N3O6S2 MolecularWeight: 583.8034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)C(C)C)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CCCC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)C(C)C)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C28H45N3O6S2/c1-5-16-27(4)21-31(39(35,36)37-25-14-10-7-11-15-25)26(32)30(27)22-28(24-12-8-6-9-13-24)17-19-29(20-18-28)38(33,34)23(2)3/h7,10-11,14-15,23-24H,5-6,8-9,12-13,16-22H2,1-4H3