5-methyl-2-[(methylsulfonylmethylamino)methyl]-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-hexanoic acid

Systemtic Name: 5-methyl-2-[(methylsulfonylmethylamino)methyl]-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-hexanoic acid Openeye Name: 5-methyl-2-[(methylsulfonylmethylamino)methyl]-2-(4-methylsulfonylpiperazine-1-carbonyl)hexanoic acid CAS Name: 5-methyl-2-[(methylsulfonylmethylamino)methyl]-2-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]hexanoic acid IUPAC Name: 5-methyl-2-[(methylsulfonylmethylamino)methyl]-2-(4-methylsulfonylpiperazine-1-carbonyl)hexanoic acid Traditional Name: 2-[(mesylmethylamino)methyl]-2-(4-mesylpiperazine-1-carbonyl)-5-methyl-hexanoic acid Formula: C16H31N3O7S2 MolecularWeight: 441.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CNCS(=O)(=O)C)(C(=O)N1CCN(CC1)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)CCC(CNCS(=O)(=O)C)(C(=O)N1CCN(CC1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C16H31N3O7S2/c1-13(2)5-6-16(15(21)22,11-17-12-27(3,23)24)14(20)18-7-9-19(10-8-18)28(4,25)26/h13,17H,5-12H2,1-4H3,(H,21,22)