3-chloranyl-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]propanamide

Systemtic Name: 3-chloranyl-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]propanamide Openeye Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]propanamide CAS Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]propanamide IUPAC Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide Traditional Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]propionamide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S/c1-13-5-6-16(10-14(13)2)25(23,24)17(12-21-18(22)7-8-19)15-4-3-9-20-11-15/h3-6,9-11,17H,7-8,12H2,1-2H3,(H,21,22)