2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]-N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-propyl-amino]-N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]-N-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-propylamino]-N-[2-(4-methylphenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-propyl-amino]-N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C27H26ClN5O5S MolecularWeight: 568.04384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H26ClN5O5S/c1-3-15-31(39(37,38)22-13-14-23(28)25(16-22)33(35)36)18-27(34)29-26-17-24(20-7-5-4-6-8-20)30-32(26)21-11-9-19(2)10-12-21/h4-14,16-17H,3,15,18H2,1-2H3,(H,29,34)