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

Systemtic Name: 2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-(N-besyl-2,5-dimethyl-anilino)-N-(3-imidazol-1-ylpropyl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c1-18-9-10-19(2)21(15-18)26(30(28,29)20-7-4-3-5-8-20)16-22(27)24-11-6-13-25-14-12-23-17-25/h3-5,7-10,12,14-15,17H,6,11,13,16H2,1-2H3,(H,24,27)