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

Systemtic Name: 4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(4-chloro-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-(4-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=C(C=C2)Cl

Isomeric SMILES

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

InChI

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