2-azanyl-5-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-oxidanyl-benzamide

Systemtic Name: 2-azanyl-5-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-oxidanyl-benzamide Openeye Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarbohydroxamic acid CAS Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3-methyl-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-4-[(4-methylpiperazino)methyl]benzenecarbohydroxamic acid Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)NO)N)C)CN3CCN(CC3)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)NO)N)C)CN3CCN(CC3)C

InChI

InChI=1S/C24H30N4O5S/c1-4-5-14-33-18-6-8-19(9-7-18)34(31,32)22-15-20(24(29)26-30)23(25)17(2)21(22)16-28-12-10-27(3)11-13-28/h6-9,15,30H,10-14,16,25H2,1-3H3,(H,26,29)