N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]quinoline-3-carboxamide

Systemtic Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]quinoline-3-carboxamide Openeye Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxo-pentyl]quinoline-3-carboxamide CAS Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]-3-quinolinecarboxamide IUPAC Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-oxopentyl]quinoline-3-carboxamide Traditional Name: N-[4-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(hydroxyamino)-5-keto-pentyl]quinoline-3-carboxamide Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCNC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)NO

InChI

InChI=1S/C25H26N4O6S/c1-2-3-15-35-20-10-12-21(13-11-20)36(33,34)29-23(25(31)28-32)9-6-14-26-24(30)19-16-18-7-4-5-8-22(18)27-17-19/h4-5,7-8,10-13,16-17,23,29,32H,6,9,14-15H2,1H3,(H,26,30)(H,28,31)