2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(3-methyloctan-2-yl)pyrrole

Systemtic Name: 2-(5-ethylsulfonyl-2-methoxy-phenyl)-1-(3-methyloctan-2-yl)pyrrole Openeye Name: 1-(1,2-dimethylheptyl)-2-(5-ethylsulfonyl-2-methoxy-phenyl)pyrrole CAS Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-methyloctan-2-yl)pyrrole IUPAC Name: 2-(5-ethylsulfonyl-2-methoxyphenyl)-1-(3-methyloctan-2-yl)pyrrole Traditional Name: 1-(1,2-dimethylheptyl)-2-(5-esyl-2-methoxy-phenyl)pyrrole Formula: C22H33NO3S MolecularWeight: 391.56732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)N1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC

Isomeric SMILES

CCCCCC(C)C(C)N1C=CC=C1C2=C(C=CC(=C2)S(=O)(=O)CC)OC

InChI

InChI=1S/C22H33NO3S/c1-6-8-9-11-17(3)18(4)23-15-10-12-21(23)20-16-19(27(24,25)7-2)13-14-22(20)26-5/h10,12-18H,6-9,11H2,1-5H3