4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2C=CN=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2C=CN=C2)S(=O)(=O)C)C

InChI

InChI=1S/C19H28N4O3S/c1-16-7-8-18(14-17(16)2)23(27(3,25)26)12-4-6-19(24)21-9-5-11-22-13-10-20-15-22/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3,(H,21,24)