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

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-8-methoxy-N-oxidanyl-quinoline-3-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-8-methoxy-quinoline-3-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-8-methoxy-3-quinolinecarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-8-methoxyquinoline-3-carboxamide Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-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)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)NO)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)NO)OC

InChI

InChI=1S/C22H21N3O6S/c1-4-5-13-31-15-9-11-16(12-10-15)32(28,29)25(2)21-17-7-6-8-19(30-3)20(17)23-14-18(21)22(26)24-27/h6-12,14,27H,13H2,1-3H3,(H,24,26)