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

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-14-6-7-15(2)17(12-14)22(26(4,24)25)16(3)18(23)20-8-5-10-21-11-9-19-13-21/h6-7,9,11-13,16H,5,8,10H2,1-4H3,(H,20,23)