8-ethylsulfonyl-2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one

Systemtic Name: 8-ethylsulfonyl-2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]carbonyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one Openeye Name: 1-(4-benzylpiperazine-1-carbonyl)-8-ethylsulfonyl-2-methyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one CAS Name: 8-ethylsulfonyl-2-methyl-1-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4-oxa-8-azaspiro[4.5]dec-1-en-3-one IUPAC Name: 1-(4-benzylpiperazine-1-carbonyl)-8-ethylsulfonyl-2-methyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one Traditional Name: 1-(4-benzylpiperazine-1-carbonyl)-8-esyl-2-methyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O5S/c1-3-32(29,30)26-11-9-23(10-12-26)20(18(2)22(28)31-23)21(27)25-15-13-24(14-16-25)17-19-7-5-4-6-8-19/h4-8H,3,9-17H2,1-2H3