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

Systemtic Name: 2-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl]-1,3-dithiane-2-carboxylic acid Openeye Name: 2-[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propyl]-1,3-dithiane-2-carboxylic acid CAS Name: 2-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl]-1,3-dithiane-2-carboxylic acid IUPAC Name: 2-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl]-1,3-dithiane-2-carboxylic acid Traditional Name: 2-[(2S)-3-phenyl-2-(tosylamino)propyl]-1,3-dithiane-2-carboxylic acid Formula: C21H25NO4S3 MolecularWeight: 451.6225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CC3(SCCCS3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)CC3(SCCCS3)C(=O)O

InChI

InChI=1S/C21H25NO4S3/c1-16-8-10-19(11-9-16)29(25,26)22-18(14-17-6-3-2-4-7-17)15-21(20(23)24)27-12-5-13-28-21/h2-4,6-11,18,22H,5,12-15H2,1H3,(H,23,24)/t18-/m0/s1