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

Systemtic Name: tert-butyl 4-[3,4-bis(phenylsulfonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3,4-bis(benzenesulfonamido)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3,4-bis(benzenesulfonamido)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,4-bis(benzenesulfonamido)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3,4-bis(benzenesulfonamido)phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C28H34N4O6S2 MolecularWeight: 586.72276

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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)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O6S2/c1-28(2,3)38-27(33)32-18-10-17-31(19-20-32)22-15-16-25(29-39(34,35)23-11-6-4-7-12-23)26(21-22)30-40(36,37)24-13-8-5-9-14-24/h4-9,11-16,21,29-30H,10,17-20H2,1-3H3