ethyl 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylate

Systemtic Name: ethyl 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylate Openeye Name: ethyl 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1,3-dimethyl-5-indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1,3-dimethylindazole-5-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1)N(N=C2C)C)N(C)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1)N(N=C2C)C)N(C)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C23H25N3O5S/c1-6-8-15-31-17-9-11-18(12-10-17)32(28,29)26(5)22-19(23(27)30-7-2)13-14-20-21(22)16(3)24-25(20)4/h9-14H,7,15H2,1-5H3