4-[1-azanyl-2-(phenylsulfonyl)ethylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one hydrochloride

Systemtic Name: 4-[1-azanyl-2-(phenylsulfonyl)ethylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one hydrochloride Openeye Name: 4-[1-amino-2-(benzenesulfonyl)ethylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one hydrochloride CAS Name: 4-[1-amino-2-(benzenesulfonyl)ethylidene]-3-hydroxy-1-cyclohexa-2,5-dienone hydrochloride IUPAC Name: 4-[1-amino-2-(benzenesulfonyl)ethylidene]-3-hydroxycyclohexa-2,5-dien-1-one hydrochloride Traditional Name: 4-(1-amino-2-besyl-ethylidene)-3-hydroxy-cyclohexa-2,5-dien-1-one hydrochloride Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(=C2C=CC(=O)C=C2O)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(=C2C=CC(=O)C=C2O)N.Cl

InChI

InChI=1S/C14H13NO4S.ClH/c15-13(12-7-6-10(16)8-14(12)17)9-20(18,19)11-4-2-1-3-5-11;/h1-8,17H,9,15H2;1H