[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 5-acetamidothiophene-2-carboxylate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 5-acetamidothiophene-2-carboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 5-acetamidothiophene-2-carboxylate CAS Name: 5-acetamido-2-thiophenecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 5-acetamidothiophene-2-carboxylate Traditional Name: 5-acetamidothiophene-2-carboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=C(S3)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=C(S3)NC(=O)C)C

InChI

InChI=1S/C22H22N2O5S2/c1-14-5-10-19(13-15(14)2)31(27,28)24(4)17-6-8-18(9-7-17)29-22(26)20-11-12-21(30-20)23-16(3)25/h5-13H,1-4H3,(H,23,25)