but-2-ynoxybenzene; 3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-N-(methylamino)-N-oxidanyl-4-sulfonyl-butanamide

Systemtic Name: but-2-ynoxybenzene; 3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-N-(methylamino)-N-oxidanyl-4-sulfonyl-butanamide Openeye Name: but-2-ynoxybenzene; N-hydroxy-3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-N-(methylamino)-4-sulfonyl-butanamide CAS Name: but-2-ynoxybenzene; N-hydroxy-3-[2-(1-imidazolyl)ethylthio]-3-methyl-N-(methylamino)-4-sulfonylbutanamide IUPAC Name: but-2-ynoxybenzene; N-hydroxy-3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-N-(methylamino)-4-sulfonylbutanamide Traditional Name: but-2-ynoxybenzene; N-hydroxy-3-(2-imidazol-1-ylethylthio)-3-methyl-N-(methylamino)-4-sulfonyl-butyramide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(CC(=O)N(NC)O)(C=S(=O)=O)SCCN1C=CN=C1

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(CC(=O)N(NC)O)(C=S(=O)=O)SCCN1C=CN=C1

InChI

InChI=1S/C11H18N4O4S2.C10H10O/c1-11(8-21(18)19,7-10(16)15(17)12-2)20-6-5-14-4-3-13-9-14;1-2-3-9-11-10-7-5-4-6-8-10/h3-4,8-9,12,17H,5-7H2,1-2H3;4-8H,9H2,1H3