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

Systemtic Name: N-(2,4-dimethylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide Openeye Name: N-(2,4-dimethylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide CAS Name: N-(2,4-dimethylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide IUPAC Name: N-(2,4-dimethylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide Traditional Name: N-(2,4-dimethylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]valeramide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S2/c1-13(2)10-20(22(26)24-18-8-6-14(3)11-15(18)4)25-30(27,28)17-7-9-19-21(12-17)29-16(5)23-19/h6-9,11-13,20,25H,10H2,1-5H3,(H,24,26)