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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-propan-2-ylsulfonyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-1-propan-2-ylsulfonyl-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[(4-cyclohexyl-1-isopropylsulfonyl-4-piperidyl)methyl]-1-isopropylsulfonyl-4-methyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[(4-cyclohexyl-1-propan-2-ylsulfonyl-4-piperidinyl)methyl]-4-methyl-2-oxo-1-propan-2-ylsulfonyl-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(4-cyclohexyl-1-propan-2-ylsulfonylpiperidin-4-yl)methyl]-4-methyl-2-oxo-1-propan-2-ylsulfonylimidazolidine-4-sulfonate Traditional Name: 3-[(4-cyclohexyl-1-isopropylsulfonyl-4-piperidyl)methyl]-1-isopropylsulfonyl-2-keto-4-methyl-imidazolidine-4-sulfonic acid phenyl ester Formula: C28H45N3O8S3 MolecularWeight: 647.8672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCC(CC1)(CN2C(=O)N(CC2(C)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C(C)C)C4CCCCC4

Isomeric SMILES

CC(C)S(=O)(=O)N1CCC(CC1)(CN2C(=O)N(CC2(C)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C(C)C)C4CCCCC4

InChI

InChI=1S/C28H45N3O8S3/c1-22(2)40(33,34)29-18-16-28(17-19-29,24-12-8-6-9-13-24)21-30-26(32)31(41(35,36)23(3)4)20-27(30,5)42(37,38)39-25-14-10-7-11-15-25/h7,10-11,14-15,22-24H,6,8-9,12-13,16-21H2,1-5H3