6,6-diethyl-1,4-bis(phenylsulfonyl)-1,4-diazepane-5,7-dione

Systemtic Name: 6,6-diethyl-1,4-bis(phenylsulfonyl)-1,4-diazepane-5,7-dione Openeye Name: 1,4-bis(benzenesulfonyl)-6,6-diethyl-1,4-diazepane-5,7-dione CAS Name: 1,4-bis(benzenesulfonyl)-6,6-diethyl-1,4-diazepane-5,7-dione IUPAC Name: 1,4-bis(benzenesulfonyl)-6,6-diethyl-1,4-diazepane-5,7-dione Traditional Name: 1,4-dibesyl-6,6-diethyl-1,4-diazepane-5,7-quinone Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(CCN(C1=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC

Isomeric SMILES

CCC1(C(=O)N(CCN(C1=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC

InChI

InChI=1S/C21H24N2O6S2/c1-3-21(4-2)19(24)22(30(26,27)17-11-7-5-8-12-17)15-16-23(20(21)25)31(28,29)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3