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

Systemtic Name: tert-butyl 4-[4-azanyl-3-(methylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-amino-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-amino-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-amino-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-amino-3-(methanesulfonamido)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4S/c1-17(2,3)25-16(22)21-9-5-8-20(10-11-21)13-6-7-14(18)15(12-13)19-26(4,23)24/h6-7,12,19H,5,8-11,18H2,1-4H3