phenyl 6-chloranyl-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonate

Systemtic Name: phenyl 6-chloranyl-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonate Openeye Name: phenyl 6-chloro-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonate CAS Name: 6-chloro-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonic acid phenyl ester IUPAC Name: phenyl 6-chloro-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonate Traditional Name: 6-chloro-4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonic acid phenyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC3=C(N2C1)C=CC(=C3Cl)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC2C(=O)NC3=C(N2C1)C=CC(=C3Cl)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C17H15ClN2O4S/c18-15-14(25(22,23)24-11-5-2-1-3-6-11)9-8-12-16(15)19-17(21)13-7-4-10-20(12)13/h1-3,5-6,8-9,13H,4,7,10H2,(H,19,21)