but-2-ynoxybenzene; N-oxidanyl-N-(phenylcarbamoylamino)-2-(sulfonylamino)pentanamide

Systemtic Name: but-2-ynoxybenzene; N-oxidanyl-N-(phenylcarbamoylamino)-2-(sulfonylamino)pentanamide Openeye Name: but-2-ynoxybenzene; N-hydroxy-N-(phenylcarbamoylamino)-2-(sulfonylamino)pentanamide CAS Name: N-[[anilino(oxo)methyl]amino]-N-hydroxy-2-(sulfonylamino)pentanamide; but-2-ynoxybenzene IUPAC Name: but-2-ynoxybenzene; N-hydroxy-N-(phenylcarbamoylamino)-2-(sulfonylamino)pentanamide Traditional Name: but-2-ynoxybenzene; N-hydroxy-N-(phenylcarbamoylamino)-2-(sulfonylamino)valeramide Formula: C22H26N4O6S MolecularWeight: 474.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(NC(=O)NC1=CC=CC=C1)O)N=S(=O)=O.CC#CCOC1=CC=CC=C1

Isomeric SMILES

CCCC(C(=O)N(NC(=O)NC1=CC=CC=C1)O)N=S(=O)=O.CC#CCOC1=CC=CC=C1

InChI

InChI=1S/C12H16N4O5S.C10H10O/c1-2-6-10(15-22(20)21)11(17)16(19)14-12(18)13-9-7-4-3-5-8-9;1-2-3-9-11-10-7-5-4-6-8-10/h3-5,7-8,10,19H,2,6H2,1H3,(H2,13,14,18);4-8H,9H2,1H3