tert-butyl 4-[4-[7,9-bis(oxidanylidene)-8-azaspiro[4.4]nonan-8-yl]-3-chloranyl-phenyl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[7,9-bis(oxidanylidene)-8-azaspiro[4.4]nonan-8-yl]-3-chloranyl-phenyl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-chloro-4-(7,9-dioxo-8-azaspiro[4.4]nonan-8-yl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[3-chloro-4-(7,9-dioxo-8-azaspiro[4.4]nonan-8-yl)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-chloro-4-(7,9-dioxo-8-azaspiro[4.4]nonan-8-yl)phenyl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-chloro-4-(7,9-diketo-8-azaspiro[4.4]nonan-8-yl)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H32ClN3O6S MolecularWeight: 526.04538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C(=O)CC4(C3=O)CCCC4)Cl

InChI

InChI=1S/C24H32ClN3O6S/c1-23(2,3)34-22(31)26-11-6-12-27(14-13-26)35(32,33)17-7-8-19(18(25)15-17)28-20(29)16-24(21(28)30)9-4-5-10-24/h7-8,15H,4-6,9-14,16H2,1-3H3