7-benzamido-6-oxidanylidene-2-propylsulfonyl-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid

Systemtic Name: 7-benzamido-6-oxidanylidene-2-propylsulfonyl-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Openeye Name: 7-benzamido-6-oxo-2-propylsulfonyl-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid CAS Name: 7-benzamido-6-oxo-2-propylsulfonyl-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid IUPAC Name: 7-benzamido-6-oxo-2-propylsulfonyl-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Traditional Name: 7-benzamido-6-keto-2-propylsulfonyl-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazin[1,2-a]azocine-4-carboxylic acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2CCCCC(C(=O)N2C(C1)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CC2CCCCC(C(=O)N2C(C1)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O6S/c1-2-12-31(29,30)23-13-16-10-6-7-11-17(20(26)24(16)18(14-23)21(27)28)22-19(25)15-8-4-3-5-9-15/h3-5,8-9,16-18H,2,6-7,10-14H2,1H3,(H,22,25)(H,27,28)