(phenylmethyl) 4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-nitrophenyl)methylsulfonyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-nitrobenzyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O6S/c24-20(29-15-17-7-2-1-3-8-17)21-11-6-12-22(14-13-21)30(27,28)16-18-9-4-5-10-19(18)23(25)26/h1-5,7-10H,6,11-16H2