4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(3-pyridylmethyl)butyramide Formula: C17H19Cl2N3O3S MolecularWeight: 416.32206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2N3O3S/c1-26(24,25)22(16-10-14(18)6-7-15(16)19)9-3-5-17(23)21-12-13-4-2-8-20-11-13/h2,4,6-8,10-11H,3,5,9,12H2,1H3,(H,21,23)