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

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(4-pyridylmethyl)butyramide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H22ClN3O3S/c1-14-5-6-16(19)12-17(14)22(26(2,24)25)11-3-4-18(23)21-13-15-7-9-20-10-8-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,23)