4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C

InChI

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