[4-(thiophen-2-ylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(thiophen-2-ylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(2-thienylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(thiophen-2-ylmethylamino)methyl]phenyl] ester IUPAC Name: [4-(thiophen-2-ylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(2-thenylcarbamoyl)phenyl] ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H19NO4S2/c1-14-5-6-15(2)19(12-14)27(23,24)25-17-9-7-16(8-10-17)20(22)21-13-18-4-3-11-26-18/h3-12H,13H2,1-2H3,(H,21,22)