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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCC1=CN=CC=C1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCC1=CN=CC=C1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-25(23,24)21(16-7-2-6-15(18)11-16)10-4-8-17(22)20-13-14-5-3-9-19-12-14/h2-3,5-7,9,11-12H,4,8,10,13H2,1H3,(H,20,22)