N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-methyl-butanamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-3-methyl-butanamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-3-methylbutanamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-methylbutanamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-3-methyl-butyramide Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)CC(C)C)C2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)CC(C)C)C2=CN=CC=C2)C

InChI

InChI=1S/C20H26N2O3S/c1-14(2)10-20(23)22-13-19(17-6-5-9-21-12-17)26(24,25)18-8-7-15(3)16(4)11-18/h5-9,11-12,14,19H,10,13H2,1-4H3,(H,22,23)