2-[(4-chlorophenyl)-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]sulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-chlorophenyl)-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]sulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-(4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]sulfonyl-anilino)-N-phenethyl-acetamide CAS Name: 2-(4-chloro-N-[2-(3,5-dimethyl-1-pyrazolyl)-5-nitrophenyl]sulfonylanilino)-N-phenethylacetamide IUPAC Name: 2-(4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]sulfonylanilino)-N-phenethylacetamide Traditional Name: 2-(4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-5-nitro-phenyl]sulfonyl-anilino)-N-phenethyl-acetamide Formula: C27H26ClN5O5S MolecularWeight: 568.04384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N(CC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N(CC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H26ClN5O5S/c1-19-16-20(2)32(30-19)25-13-12-24(33(35)36)17-26(25)39(37,38)31(23-10-8-22(28)9-11-23)18-27(34)29-15-14-21-6-4-3-5-7-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,29,34)