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

Systemtic Name: 3-chloranyl-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 3-chloro-N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C21H21ClN2O4S2 MolecularWeight: 464.98544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC(=CC=C2)Cl)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CC(=CC=C2)Cl)C3=CN=CC=C3)C

InChI

InChI=1S/C21H21ClN2O4S2/c1-15-8-9-19(11-16(15)2)29(25,26)21(17-5-4-10-23-13-17)14-24-30(27,28)20-7-3-6-18(22)12-20/h3-13,21,24H,14H2,1-2H3