(2S)-N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-(tosylamino)butyramide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O3S2/c1-13(2)19(23-28(25,26)15-10-8-14(3)9-11-15)20(24)21-12-18-22-16-6-4-5-7-17(16)27-18/h4-11,13,19,23H,12H2,1-3H3,(H,21,24)/t19-/m0/s1