tert-butyl 4-[4-azanyl-3-[2-(methylsulfamoyl)phenyl]phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-azanyl-3-[2-(methylsulfamoyl)phenyl]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-[2-(methylsulfamoyl)phenyl]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-amino-3-[2-(methylsulfamoyl)phenyl]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-[2-(methylsulfamoyl)phenyl]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-amino-3-[2-(methylsulfamoyl)phenyl]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C23H32N4O4S MolecularWeight: 460.58958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(C=C2)N)C3=CC=CC=C3S(=O)(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(C=C2)N)C3=CC=CC=C3S(=O)(=O)NC

InChI

InChI=1S/C23H32N4O4S/c1-23(2,3)31-22(28)27-13-7-12-26(14-15-27)17-10-11-20(24)19(16-17)18-8-5-6-9-21(18)32(29,30)25-4/h5-6,8-11,16,25H,7,12-15,24H2,1-4H3