but-2-ynoxybenzene; 3-(2-diethylaminoethylsulfanyl)-3-methyl-N-(methylamino)-N-oxidanyl-4-sulfonyl-butanamide

Systemtic Name: but-2-ynoxybenzene; 3-(2-diethylaminoethylsulfanyl)-3-methyl-N-(methylamino)-N-oxidanyl-4-sulfonyl-butanamide Openeye Name: but-2-ynoxybenzene; 3-(2-diethylaminoethylsulfanyl)-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonyl-butanamide CAS Name: but-2-ynoxybenzene; 3-(2-diethylaminoethylthio)-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonylbutanamide IUPAC Name: but-2-ynoxybenzene; 3-(2-diethylaminoethylsulfanyl)-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonylbutanamide Traditional Name: but-2-ynoxybenzene; 3-(2-diethylaminoethylthio)-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonyl-butyramide Formula: C22H35N3O5S2 MolecularWeight: 485.6604

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(C)(CC(=O)N(NC)O)C=S(=O)=O.CC#CCOC1=CC=CC=C1

Isomeric SMILES

CCN(CC)CCSC(C)(CC(=O)N(NC)O)C=S(=O)=O.CC#CCOC1=CC=CC=C1

InChI

InChI=1S/C12H25N3O4S2.C10H10O/c1-5-14(6-2)7-8-20-12(3,10-21(18)19)9-11(16)15(17)13-4;1-2-3-9-11-10-7-5-4-6-8-10/h10,13,17H,5-9H2,1-4H3;4-8H,9H2,1H3