ditert-butyl 1-(4-methoxyphenyl)sulfonyl-3H-1,2-diazepine-2,5-dicarboxylate

Systemtic Name: ditert-butyl 1-(4-methoxyphenyl)sulfonyl-3H-1,2-diazepine-2,5-dicarboxylate Openeye Name: ditert-butyl 1-(4-methoxyphenyl)sulfonyl-3H-diazepine-2,5-dicarboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3H-diazepine-2,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 1-(4-methoxyphenyl)sulfonyl-3H-diazepine-2,5-dicarboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3H-diazepine-2,5-dicarboxylic acid ditert-butyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CCN(N(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CCN(N(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O7S/c1-21(2,3)30-19(25)16-12-14-23(20(26)31-22(4,5)6)24(15-13-16)32(27,28)18-10-8-17(29-7)9-11-18/h8-13,15H,14H2,1-7H3