[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-thiophen-3-ylpropanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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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)CCC3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCC3=CSC=C3)C

InChI

InChI=1S/C22H23NO4S2/c1-16-4-10-21(14-17(16)2)29(25,26)23(3)19-6-8-20(9-7-19)27-22(24)11-5-18-12-13-28-15-18/h4,6-10,12-15H,5,11H2,1-3H3