ethyl 8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylate

Systemtic Name: ethyl 8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylate Openeye Name: ethyl 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylate CAS Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]quinoline-3-carboxylate Traditional Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid ethyl ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N(C)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)C=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N(C)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)C=CC=C2Br

InChI

InChI=1S/C23H21BrN2O5S/c1-4-6-14-31-16-10-12-17(13-11-16)32(28,29)26(3)22-18-8-7-9-20(24)21(18)25-15-19(22)23(27)30-5-2/h7-13,15H,5,14H2,1-3H3