1-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-(2-methylsulfonylethylamino)-1-oxidanylidene-butan-2-yl]indazole-3-carboxamide

Systemtic Name: 1-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-(2-methylsulfonylethylamino)-1-oxidanylidene-butan-2-yl]indazole-3-carboxamide Openeye Name: 1-[(4-cyanophenyl)methyl]-N-[(1S)-2,2-dimethyl-1-(2-methylsulfonylethylcarbamoyl)propyl]indazole-3-carboxamide CAS Name: 1-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-(2-methylsulfonylethylamino)-1-oxobutan-2-yl]-3-indazolecarboxamide IUPAC Name: 1-[(4-cyanophenyl)methyl]-N-[(2S)-3,3-dimethyl-1-(2-methylsulfonylethylamino)-1-oxobutan-2-yl]indazole-3-carboxamide Traditional Name: 1-(4-cyanobenzyl)-N-[(1S)-1-(2-mesylethylcarbamoyl)-2,2-dimethyl-propyl]indazole-3-carboxamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCCS(=O)(=O)C)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NCCS(=O)(=O)C)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H29N5O4S/c1-25(2,3)22(24(32)27-13-14-35(4,33)34)28-23(31)21-19-7-5-6-8-20(19)30(29-21)16-18-11-9-17(15-26)10-12-18/h5-12,22H,13-14,16H2,1-4H3,(H,27,32)(H,28,31)/t22-/m1/s1