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

Systemtic Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(p-tolylmethyl)butanamide CAS Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(4-methylbenzyl)butyramide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C

InChI

InChI=1S/C21H25N3O3S2/c1-13(2)20(21(25)22-12-16-7-5-14(3)6-8-16)24-29(26,27)17-9-10-18-19(11-17)28-15(4)23-18/h5-11,13,20,24H,12H2,1-4H3,(H,22,25)