N-[(2,4-dimethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(2,4-dimethylbenzyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(C=C(C=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H28N2O3S2/c1-15-6-9-19(10-7-15)28(25,26)23-20(11-12-27-4)21(24)22-14-18-8-5-16(2)13-17(18)3/h5-10,13,20,23H,11-12,14H2,1-4H3,(H,22,24)