ethyl 2-[7-oxidanylidene-4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: ethyl 2-[7-oxidanylidene-4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: ethyl 2-(4-benzylsulfonyl-7-oxo-1,4-diazepan-1-yl)acetate CAS Name: 2-[7-oxo-4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonyl-7-oxo-1,4-diazepan-1-yl)acetate Traditional Name: 2-(4-benzylsulfonyl-7-keto-1,4-diazepan-1-yl)acetic acid ethyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CCC1=O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1CCN(CCC1=O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O5S/c1-2-23-16(20)12-17-10-11-18(9-8-15(17)19)24(21,22)13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3