5-bromanyl-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(1-methylpiperidin-4-yl)methyl]-N-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(1-methylpiperidin-4-yl)methyl]-N-oxidanyl-benzamide Openeye Name: 5-bromo-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(1-methyl-4-piperidyl)methyl]benzenecarbohydroxamic acid CAS Name: 5-bromo-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-[(1-methyl-4-piperidinyl)methyl]benzamide IUPAC Name: 5-bromo-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]benzamide Traditional Name: 5-bromo-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-[(1-methyl-4-piperidyl)methyl]benzenecarbohydroxamic acid Formula: C25H30BrN3O5S MolecularWeight: 564.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C(=O)NO)Br)CC3CCN(CC3)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C(=O)NO)Br)CC3CCN(CC3)C

InChI

InChI=1S/C25H30BrN3O5S/c1-4-5-14-34-21-6-8-22(9-7-21)35(32,33)29(3)24-19(15-18-10-12-28(2)13-11-18)16-20(26)17-23(24)25(30)27-31/h6-9,16-18,31H,10-15H2,1-3H3,(H,27,30)