1-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-yl-azepane

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-yl-azepane Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-2-(2-thienyl)azepane CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylazepane IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylazepane Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-2-(2-thienyl)azepane Formula: C18H23NO2S2 MolecularWeight: 349.51072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2C3=CC=CS3)C

InChI

InChI=1S/C18H23NO2S2/c1-14-9-10-16(13-15(14)2)23(20,21)19-11-5-3-4-7-17(19)18-8-6-12-22-18/h6,8-10,12-13,17H,3-5,7,11H2,1-2H3