N-(acetamidomethylsulfanyl)-N-oxidanyl-2-(sulfonylamino)propanamide; but-2-ynoxybenzene

Systemtic Name: N-(acetamidomethylsulfanyl)-N-oxidanyl-2-(sulfonylamino)propanamide; but-2-ynoxybenzene Openeye Name: N-(acetamidomethylsulfanyl)-N-hydroxy-2-(sulfonylamino)propanamide; but-2-ynoxybenzene CAS Name: N-(acetamidomethylthio)-N-hydroxy-2-(sulfonylamino)propanamide; but-2-ynoxybenzene IUPAC Name: N-(acetamidomethylsulfanyl)-N-hydroxy-2-(sulfonylamino)propanamide; but-2-ynoxybenzene Traditional Name: N-(acetamidomethylthio)-N-hydroxy-2-(sulfonylamino)propionamide; but-2-ynoxybenzene Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(C(=O)N(O)SCNC(=O)C)N=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(C(=O)N(O)SCNC(=O)C)N=S(=O)=O

InChI

InChI=1S/C10H10O.C6H11N3O5S2/c1-2-3-9-11-10-7-5-4-6-8-10;1-4(8-16(13)14)6(11)9(12)15-3-7-5(2)10/h4-8H,9H2,1H3;4,12H,3H2,1-2H3,(H,7,10)