tert-butyl 4-[3-acetamido-4-(3-fluorophenyl)sulfonyl-phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-acetamido-4-(3-fluorophenyl)sulfonyl-phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-acetamido-4-(3-fluorophenyl)sulfonyl-phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-acetamido-4-(3-fluorophenyl)sulfonylphenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-acetamido-4-(3-fluorophenyl)sulfonylphenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-acetamido-4-(3-fluorophenyl)sulfonyl-phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H30FN3O5S MolecularWeight: 491.575503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C24H30FN3O5S/c1-17(29)26-21-16-19(9-10-22(21)34(31,32)20-8-5-7-18(25)15-20)27-11-6-12-28(14-13-27)23(30)33-24(2,3)4/h5,7-10,15-16H,6,11-14H2,1-4H3,(H,26,29)