3-chloranyl-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]propane-1-sulfonamide

Systemtic Name: 3-chloranyl-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]propane-1-sulfonamide Openeye Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]propane-1-sulfonamide CAS Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1-propanesulfonamide IUPAC Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]propane-1-sulfonamide Traditional Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]propane-1-sulfonamide Formula: C18H23ClN2O4S2 MolecularWeight: 430.96922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)CCCCl)C2=CN=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)CCCCl)C2=CN=CC=C2)C

InChI

InChI=1S/C18H23ClN2O4S2/c1-14-6-7-17(11-15(14)2)27(24,25)18(16-5-3-9-20-12-16)13-21-26(22,23)10-4-8-19/h3,5-7,9,11-12,18,21H,4,8,10,13H2,1-2H3