2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-(3-pyridylmethyl)butanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-(3-pyridylmethyl)butyramide Formula: C17H20ClN3O3S MolecularWeight: 381.877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H20ClN3O3S/c1-3-16(17(22)20-12-13-5-4-10-19-11-13)21(25(2,23)24)15-8-6-14(18)7-9-15/h4-11,16H,3,12H2,1-2H3,(H,20,22)