but-2-ynoxybenzene; (oxidanylamino) N-(4-methoxyphenyl)-N-[5-oxidanylidene-4-(sulfonylamino)pentyl]carbamate

Systemtic Name: but-2-ynoxybenzene; (oxidanylamino) N-(4-methoxyphenyl)-N-[5-oxidanylidene-4-(sulfonylamino)pentyl]carbamate Openeye Name: but-2-ynoxybenzene; (hydroxyamino) N-(4-methoxyphenyl)-N-[5-oxo-4-(sulfonylamino)pentyl]carbamate CAS Name: but-2-ynoxybenzene; N-(4-methoxyphenyl)-N-[5-oxo-4-(sulfonylamino)pentyl]carbamic acid (hydroxyamino) ester IUPAC Name: but-2-ynoxybenzene; (hydroxyamino) N-(4-methoxyphenyl)-N-[5-oxo-4-(sulfonylamino)pentyl]carbamate Traditional Name: but-2-ynoxybenzene; N-[5-keto-4-(sulfonylamino)pentyl]-N-(4-methoxyphenyl)carbamic acid (hydroxyamino) ester Formula: C23H27N3O8S MolecularWeight: 505.54078

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.COC1=CC=C(C=C1)N(CCCC(C=O)N=S(=O)=O)C(=O)ONO

Isomeric SMILES

CC#CCOC1=CC=CC=C1.COC1=CC=C(C=C1)N(CCCC(C=O)N=S(=O)=O)C(=O)ONO

InChI

InChI=1S/C13H17N3O7S.C10H10O/c1-22-12-6-4-11(5-7-12)16(13(18)23-15-19)8-2-3-10(9-17)14-24(20)21;1-2-3-9-11-10-7-5-4-6-8-10/h4-7,9-10,15,19H,2-3,8H2,1H3;4-8H,9H2,1H3