(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=C(S2)CNC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=C(S2)CNC(=O)C

InChI

InChI=1S/C17H20ClNO4S2/c1-10(2)14-8-15(18)11(3)7-16(14)23-25(21,22)17-6-5-13(24-17)9-19-12(4)20/h5-8,10H,9H2,1-4H3,(H,19,20)