3,4-dimethyl-N-[2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-[2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[2-besyl-2-(3-pyridyl)ethyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S2/c1-16-10-11-20(13-17(16)2)29(26,27)23-15-21(18-7-6-12-22-14-18)28(24,25)19-8-4-3-5-9-19/h3-14,21,23H,15H2,1-2H3