methyl 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2,6-dimethoxy-pyridine-4-carboxylate

Systemtic Name: methyl 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2,6-dimethoxy-pyridine-4-carboxylate Openeye Name: methyl 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2,6-dimethoxy-pyridine-4-carboxylate CAS Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2,6-dimethoxy-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2,6-dimethoxypyridine-4-carboxylate Traditional Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2,6-dimethoxy-isonicotinic acid methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(N=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(N=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C20H22N2O7S/c1-6-7-12-29-14-8-10-15(11-9-14)30(24,25)22(2)18-16(20(23)28-5)13-17(26-3)21-19(18)27-4/h8-11,13H,12H2,1-5H3