(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)butyramide Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S3/c1-13-5-6-14(2)19(11-13)31(26,27)24-17(9-10-29-4)20(25)23-21-22-16-8-7-15(28-3)12-18(16)30-21/h5-8,11-12,17,24H,9-10H2,1-4H3,(H,22,23,25)/t17-/m0/s1