2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[2-(4-methylpiperazin-1-yl)ethanoylamino]-N-oxidanyl-pentanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[2-(4-methylpiperazin-1-yl)ethanoylamino]-N-oxidanyl-pentanamide Openeye Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxo-pentyl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxy-5-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]pentanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxy-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]pentanamide Traditional Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-keto-pentyl]-2-(4-methylpiperazino)acetamide Formula: C22H33N5O6S MolecularWeight: 495.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)CN2CCN(CC2)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)CN2CCN(CC2)C)C(=O)NO

InChI

InChI=1S/C22H33N5O6S/c1-3-4-16-33-18-7-9-19(10-8-18)34(31,32)25-20(22(29)24-30)6-5-11-23-21(28)17-27-14-12-26(2)13-15-27/h7-10,20,25,30H,5-6,11-17H2,1-2H3,(H,23,28)(H,24,29)