2-ethylsulfonyl-7-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid

Systemtic Name: 2-ethylsulfonyl-7-(naphthalen-1-ylcarbonylamino)-6-oxidanylidene-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Openeye Name: 2-ethylsulfonyl-7-(naphthalene-1-carbonylamino)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid CAS Name: 2-ethylsulfonyl-7-[[1-naphthalenyl(oxo)methyl]amino]-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid IUPAC Name: 2-ethylsulfonyl-7-(naphthalene-1-carbonylamino)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Traditional Name: 2-esyl-6-keto-7-(1-naphthoylamino)-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazin[1,2-a]azocine-4-carboxylic acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2CCCCC(C(=O)N2C(C1)C(=O)O)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCS(=O)(=O)N1CC2CCCCC(C(=O)N2C(C1)C(=O)O)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O6S/c1-2-34(32,33)26-14-17-10-4-6-13-20(23(29)27(17)21(15-26)24(30)31)25-22(28)19-12-7-9-16-8-3-5-11-18(16)19/h3,5,7-9,11-12,17,20-21H,2,4,6,10,13-15H2,1H3,(H,25,28)(H,30,31)