(phenylmethyl) 4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O6S/c1-27-19-10-9-18(15-20(19)28-2)30(25,26)23-12-6-11-22(13-14-23)21(24)29-16-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14,16H2,1-2H3