4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-N-oxidanyl-indazole-5-carboxamide

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-N-oxidanyl-indazole-5-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-1,3-dimethyl-5-indazolecarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-1,3-dimethylindazole-5-carboxamide Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carbohydroxamic acid Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC3=C2C(=NN3C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC3=C2C(=NN3C)C)C(=O)NO

InChI

InChI=1S/C21H22N4O5S/c1-5-6-13-30-15-7-9-16(10-8-15)31(28,29)25(4)20-17(21(26)23-27)11-12-18-19(20)14(2)22-24(18)3/h7-12,27H,13H2,1-4H3,(H,23,26)