ethyl 2-[(2S)-1-(2-benzamidoethylsulfonyl)-5-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-1-(2-benzamidoethylsulfonyl)-5-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-(2-benzamidoethylsulfonyl)-5-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-(2-benzamidoethylsulfonyl)-5-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-(2-benzamidoethylsulfonyl)-5-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(2-benzamidoethylsulfonyl)-5-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CNC(=O)CN1S(=O)(=O)CCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@H]1CNC(=O)CN1S(=O)(=O)CCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O6S/c1-2-26-16(22)10-14-11-19-15(21)12-20(14)27(24,25)9-8-18-17(23)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,23)(H,19,21)/t14-/m0/s1