N-[2-(3-methoxyphenyl)ethyl]-2-[(4-methylsulfonylphenyl)amino]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)ethyl]-2-[(4-methylsulfonylphenyl)amino]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)thiazole-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)-4-thiazolecarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylsulfonylanilino)-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-mesylanilino)-N-[2-(3-methoxyphenyl)ethyl]thiazole-4-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC(=O)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)CCNC(=O)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O4S2/c1-27-16-5-3-4-14(12-16)10-11-21-19(24)18-13-28-20(23-18)22-15-6-8-17(9-7-15)29(2,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23)