N-[[5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylthiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylthiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-2-thienyl]methyl]acetamide CAS Name: N-[[5-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylthiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-2-thienyl]methyl]acetamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N2O4S2/c1-15(23)21-14-18-11-12-20(27-18)28(24,25)22-13-5-3-4-6-19(22)16-7-9-17(26-2)10-8-16/h7-12,19H,3-6,13-14H2,1-2H3,(H,21,23)/t19-/m1/s1