tert-butyl 4-[3-(methylsulfonylamino)-4-(phenylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(methylsulfonylamino)-4-(phenylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzenesulfonamido)-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-(benzenesulfonamido)-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(benzenesulfonamido)-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(benzenesulfonamido)-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C23H32N4O6S2 MolecularWeight: 524.65338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C23H32N4O6S2/c1-23(2,3)33-22(28)27-14-8-13-26(15-16-27)18-11-12-20(21(17-18)24-34(4,29)30)25-35(31,32)19-9-6-5-7-10-19/h5-7,9-12,17,24-25H,8,13-16H2,1-4H3