ditert-butyl 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate

Systemtic Name: ditert-butyl 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate Openeye Name: ditert-butyl 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1,4-diazepane-1,5-dicarboxylic acid ditert-butyl ester Formula: C22H34N2O7S MolecularWeight: 470.57956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O7S/c1-21(2,3)30-19(25)18-12-13-23(20(26)31-22(4,5)6)14-15-24(18)32(27,28)17-10-8-16(29-7)9-11-17/h8-11,18H,12-15H2,1-7H3