4-[1-(dimethylsulfamoyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[1-(dimethylsulfamoyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(dimethylsulfamoyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-(dimethylsulfamoyl)-4-pyrazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(dimethylsulfamoyl)pyrazol-4-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(dimethylsulfamoyl)pyrazol-4-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C26H26N6O7S3 MolecularWeight: 630.71564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1C=C(C=N1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1C=C(C=N1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O7S3/c1-30(2)42(38,39)31-18-21(17-28-31)19-8-10-20(11-9-19)26(33)29-41(36,37)23-12-13-24(25(16-23)32(34)35)27-14-15-40-22-6-4-3-5-7-22/h3-13,16-18,27H,14-15H2,1-2H3,(H,29,33)