(phenylmethyl) 4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3)C)C)OC

InChI

InChI=1S/C23H30N2O5S/c1-17-15-21(29-4)18(2)19(3)22(17)31(27,28)25-12-8-11-24(13-14-25)23(26)30-16-20-9-6-5-7-10-20/h5-7,9-10,15H,8,11-14,16H2,1-4H3