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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(3-imidazol-1-ylpropyl)butyramide Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O3S/c1-3-16(17(23)20-8-5-10-21-11-9-19-13-21)22(26(2,24)25)15-7-4-6-14(18)12-15/h4,6-7,9,11-13,16H,3,5,8,10H2,1-2H3,(H,20,23)