(4-cyclohexylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: (4-cyclohexylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: (4-cyclohexylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid (4-cyclohexylphenyl) ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C19H23NO4S2/c1-14(21)20-13-18-11-12-19(25-18)26(22,23)24-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,20,21)