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

Systemtic Name: tert-butyl 4-[2-azanyl-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[2-amino-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-amino-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-amino-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-amino-4-(phenylsulfamoyl)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)30-21(27)26-13-7-12-25(14-15-26)20-11-10-18(16-19(20)23)31(28,29)24-17-8-5-4-6-9-17/h4-6,8-11,16,24H,7,12-15,23H2,1-3H3