tert-butyl 7-methyl-4-[4-(4-methylphenoxy)isoquinolin-5-yl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 7-methyl-4-[4-(4-methylphenoxy)isoquinolin-5-yl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 7-methyl-4-[[4-(4-methylphenoxy)-5-isoquinolyl]sulfonyl]-1,4-diazepane-1-carboxylate CAS Name: 7-methyl-4-[[4-(4-methylphenoxy)-5-isoquinolinyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-methyl-4-[4-(4-methylphenoxy)isoquinolin-5-yl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 7-methyl-4-[[4-(4-methylphenoxy)-5-isoquinolyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)OC4=CC=C(C=C4)C

InChI

InChI=1S/C27H33N3O5S/c1-19-9-11-22(12-10-19)34-23-18-28-17-21-7-6-8-24(25(21)23)36(32,33)29-14-13-20(2)30(16-15-29)26(31)35-27(3,4)5/h6-12,17-18,20H,13-16H2,1-5H3