(phenylmethyl) 2-(4-ethylsulfonyl-1,4-diazepan-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-ethylsulfonyl-1,4-diazepan-1-yl)ethanoate Openeye Name: benzyl 2-(4-ethylsulfonyl-1,4-diazepan-1-yl)acetate CAS Name: 2-(4-ethylsulfonyl-1,4-diazepan-1-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-ethylsulfonyl-1,4-diazepan-1-yl)acetate Traditional Name: 2-(4-esyl-1,4-diazepan-1-yl)acetic acid benzyl ester Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O4S/c1-2-23(20,21)18-10-6-9-17(11-12-18)13-16(19)22-14-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3