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

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-yl-azepane Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-thienyl)azepane CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylazepane IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-2-thiophen-2-ylazepane Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-thienyl)azepane Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2C3=CC=CS3)OC

InChI

InChI=1S/C18H23NO4S2/c1-22-16-10-9-14(13-17(16)23-2)25(20,21)19-11-5-3-4-7-15(19)18-8-6-12-24-18/h6,8-10,12-13,15H,3-5,7,11H2,1-2H3