4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyridyl)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-pyridinyl)butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-(3-pyridyl)butyramide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CN=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CN=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C18H23N3O3S/c1-14-8-9-17(12-15(14)2)21(25(3,23)24)11-5-7-18(22)20-16-6-4-10-19-13-16/h4,6,8-10,12-13H,5,7,11H2,1-3H3,(H,20,22)