2-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]-1,3-dithiane-2-carboxylic acid

Systemtic Name: 2-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]-1,3-dithiane-2-carboxylic acid Openeye Name: 2-[(2S)-4-methyl-2-(p-tolylsulfonylamino)pentyl]-1,3-dithiane-2-carboxylic acid CAS Name: 2-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentyl]-1,3-dithiane-2-carboxylic acid Traditional Name: 2-[(2S)-4-methyl-2-(tosylamino)pentyl]-1,3-dithiane-2-carboxylic acid Formula: C18H27NO4S3 MolecularWeight: 417.60628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)CC2(SCCCS2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)CC2(SCCCS2)C(=O)O

InChI

InChI=1S/C18H27NO4S3/c1-13(2)11-15(12-18(17(20)21)24-9-4-10-25-18)19-26(22,23)16-7-5-14(3)6-8-16/h5-8,13,15,19H,4,9-12H2,1-3H3,(H,20,21)/t15-/m0/s1