N-ethylsulfonyl-N-[2-[5-(pyridin-3-ylmethyl)cyclohexa-1,5-dien-1-yl]ethyl]ethanesulfonamide

Systemtic Name: N-ethylsulfonyl-N-[2-[5-(pyridin-3-ylmethyl)cyclohexa-1,5-dien-1-yl]ethyl]ethanesulfonamide Openeye Name: N-ethylsulfonyl-N-[2-[5-(3-pyridylmethyl)cyclohexa-1,5-dien-1-yl]ethyl]ethanesulfonamide CAS Name: N-ethylsulfonyl-N-[2-[5-(3-pyridinylmethyl)-1-cyclohexa-1,5-dienyl]ethyl]ethanesulfonamide IUPAC Name: N-ethylsulfonyl-N-[2-[5-(pyridin-3-ylmethyl)cyclohexa-1,5-dien-1-yl]ethyl]ethanesulfonamide Traditional Name: N-esyl-N-[2-[5-(3-pyridylmethyl)cyclohexa-1,5-dien-1-yl]ethyl]ethanesulfonamide Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCC1=CCCC(=C1)CC2=CN=CC=C2)S(=O)(=O)CC

Isomeric SMILES

CCS(=O)(=O)N(CCC1=CCCC(=C1)CC2=CN=CC=C2)S(=O)(=O)CC

InChI

InChI=1S/C18H26N2O4S2/c1-3-25(21,22)20(26(23,24)4-2)12-10-16-7-5-8-17(13-16)14-18-9-6-11-19-15-18/h6-7,9,11,13,15H,3-5,8,10,12,14H2,1-2H3