2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(4-pyridylmethyl)butyramide Formula: C19H25N3O3S MolecularWeight: 375.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=NC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=NC=C1)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O3S/c1-5-18(19(23)21-13-16-8-10-20-11-9-16)22(26(4,24)25)17-7-6-14(2)15(3)12-17/h6-12,18H,5,13H2,1-4H3,(H,21,23)