2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)propanamide

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: 2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 2-(5-chloro-N-mesyl-2-methyl-anilino)-N-(3-imidazol-1-ylpropyl)propionamide Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O3S/c1-13-5-6-15(18)11-16(13)22(26(3,24)25)14(2)17(23)20-7-4-9-21-10-8-19-12-21/h5-6,8,10-12,14H,4,7,9H2,1-3H3,(H,20,23)