(2S)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(6-chlorothiochroman-4-yl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(6-chlorothiochroman-4-yl)-3-methyl-2-(tosylamino)butyramide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-13(2)20(24-29(26,27)16-7-4-14(3)5-8-16)21(25)23-18-10-11-28-19-9-6-15(22)12-17(18)19/h4-9,12-13,18,20,24H,10-11H2,1-3H3,(H,23,25)/t18?,20-/m0/s1