2-(4-ethylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiazole-4-carboxamide CAS Name: 2-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-ethylphenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]thiazole-4-carboxamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-3-14-4-6-15(7-5-14)21-24-18(13-31-21)20(26)23-11-10-22-17-9-8-16(32(2,29)30)12-19(17)25(27)28/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,23,26)