N-(1-adamantyl)-4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzamide

Systemtic Name: N-(1-adamantyl)-4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzamide Openeye Name: N-(1-adamantyl)-4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzamide CAS Name: N-(1-adamantyl)-4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzamide IUPAC Name: N-(1-adamantyl)-4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide Traditional Name: N-(1-adamantyl)-4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzamide Formula: C29H33ClN4O4S MolecularWeight: 569.11472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C29H33ClN4O4S/c1-18-26(28(36)34(32(18)2)23-7-5-4-6-8-23)33(3)39(37,38)25-14-22(9-10-24(25)30)27(35)31-29-15-19-11-20(16-29)13-21(12-19)17-29/h4-10,14,19-21H,11-13,15-17H2,1-3H3,(H,31,35)