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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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