(phenylmethyl) 4-(2-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(2-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(2-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-bromophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O4S/c20-17-9-4-5-10-18(17)27(24,25)22-12-6-11-21(13-14-22)19(23)26-15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2