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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide CAS Name: N-(2-bromo-4-methylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]valeramide Formula: C21H24BrN3O3S2 MolecularWeight: 510.46756

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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)Br

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)Br

InChI

InChI=1S/C21H24BrN3O3S2/c1-12(2)9-19(21(26)24-17-7-5-13(3)10-16(17)22)25-30(27,28)15-6-8-18-20(11-15)29-14(4)23-18/h5-8,10-12,19,25H,9H2,1-4H3,(H,24,26)