(9Z)-7-benzamido-6-oxidanylidene-2-(phenylsulfonyl)-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid

Systemtic Name: (9Z)-7-benzamido-6-oxidanylidene-2-(phenylsulfonyl)-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Openeye Name: (9Z)-7-benzamido-2-(benzenesulfonyl)-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid CAS Name: (9Z)-7-benzamido-2-(benzenesulfonyl)-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid IUPAC Name: (9Z)-7-benzamido-2-(benzenesulfonyl)-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-4-carboxylic acid Traditional Name: (9Z)-7-benzamido-2-besyl-6-keto-3,4,7,8,11,11a-hexahydro-1H-pyrazin[1,2-a]azocine-4-carboxylic acid Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C(=O)N2C1CN(CC2C(=O)O)S(=O)(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1/C=C\CC(C(=O)N2C1CN(CC2C(=O)O)S(=O)(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O6S/c28-22(17-9-3-1-4-10-17)25-20-14-8-7-11-18-15-26(16-21(24(30)31)27(18)23(20)29)34(32,33)19-12-5-2-6-13-19/h1-10,12-13,18,20-21H,11,14-16H2,(H,25,28)(H,30,31)/b8-7-