O2-tert-butyl O3-(phenylmethyl) 1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-(phenylmethyl) 1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2,3-dicarboxylate Openeye Name: O3-benzyl O2-tert-butyl 1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2,3-dicarboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2,3-dicarboxylic acid O2-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 2-O-tert-butyl 1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2,3-dicarboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2,3-dicarboxylic acid O3-benzyl ester O2-tert-butyl ester Formula: C26H31NO7S MolecularWeight: 501.59184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CC=CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CC=CCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31NO7S/c1-26(2,3)34-25(29)23-22(24(28)33-18-19-10-6-5-7-11-19)12-8-9-17-27(23)35(30,31)21-15-13-20(32-4)14-16-21/h5-11,13-16,22-23H,12,17-18H2,1-4H3