2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(N-mesyl-2,5-dimethyl-anilino)acetamide Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-14-5-6-15(2)16(11-14)21(25(3,23)24)12-17(22)19-7-4-9-20-10-8-18-13-20/h5-6,8,10-11,13H,4,7,9,12H2,1-3H3,(H,19,22)