4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-8-methoxy-N-oxidanyl-quinoline-3-carboxamide

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-8-methoxy-N-oxidanyl-quinoline-3-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-8-methoxy-quinoline-3-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-hydroxy-8-methoxy-3-quinolinecarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-hydroxy-8-methoxyquinoline-3-carboxamide Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-8-methoxy-quinoline-3-carbohydroxamic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC2=C3C=CC=C(C3=NC=C2C(=O)NO)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC2=C3C=CC=C(C3=NC=C2C(=O)NO)OC

InChI

InChI=1S/C22H21N3O6S/c1-3-4-12-31-15-8-10-16(11-9-15)32(28,29)14-24-20-17-6-5-7-19(30-2)21(17)23-13-18(20)22(26)25-27/h5-11,13,27H,12,14H2,1-2H3,(H,23,24)(H,25,26)