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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(N-mesyl-4-methyl-anilino)butyramide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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