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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCN1C=CN=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCCN1C=CN=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

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