tert-butyl N-[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]carbamate Openeye Name: tert-butyl N-[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]carbamate CAS Name: N-[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]carbamate Traditional Name: N-[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]carbamic acid tert-butyl ester Formula: C18H22ClN3O6S MolecularWeight: 443.90178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1CCN(CC1=O)S(=O)(=O)C2=CC3=C(C=C(C=C3)Cl)OC2

Isomeric SMILES

CC(C)(C)OC(=O)NN1CCN(CC1=O)S(=O)(=O)C2=CC3=C(C=C(C=C3)Cl)OC2

InChI

InChI=1S/C18H22ClN3O6S/c1-18(2,3)28-17(24)20-22-7-6-21(10-16(22)23)29(25,26)14-8-12-4-5-13(19)9-15(12)27-11-14/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,20,24)