2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)N2C=CN=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)N2C=CN=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H28N4O3S/c1-5-22(27(31(4,29)30)21-9-6-17(2)18(3)14-21)23(28)25-15-19-7-10-20(11-8-19)26-13-12-24-16-26/h6-14,16,22H,5,15H2,1-4H3,(H,25,28)