(2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-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)NC2=CC3=C(C=C2)N=C(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)C

InChI

InChI=1S/C20H23N3O3S2/c1-12(2)19(23-28(25,26)16-8-5-13(3)6-9-16)20(24)22-15-7-10-17-18(11-15)27-14(4)21-17/h5-12,19,23H,1-4H3,(H,22,24)/t19-/m0/s1