(phenylmethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O5S/c1-14-17(15(2)26-19-14)27(23,24)21-10-6-9-20(11-12-21)18(22)25-13-16-7-4-3-5-8-16/h3-5,7-8H,6,9-13H2,1-2H3