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

Systemtic Name: sodium 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylate Openeye Name: sodium 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylate CAS Name: sodium 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1,3-dimethyl-5-indazolecarboxylate IUPAC Name: sodium 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1,3-dimethylindazole-5-carboxylate Traditional Name: sodium 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-indazole-5-carboxylate Formula: C21H20N3NaO5S MolecularWeight: 449.45537

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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)[O-].[Na+]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC3=C2C(=NN3C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H21N3O5S.Na/c1-5-6-13-29-15-7-9-16(10-8-15)30(27,28)24(4)20-17(21(25)26)11-12-18-19(20)14(2)22-23(18)3;/h7-12H,13H2,1-4H3,(H,25,26);/q;+1/p-1