(Z)-[7-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepin-4-ylidene]-oxidanyl-methanolate

Systemtic Name: (Z)-[7-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepin-4-ylidene]-oxidanyl-methanolate Openeye Name: (Z)-[7-bromo-5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-4-ylidene]-hydroxy-methanolate CAS Name: (Z)-[7-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepin-4-ylidene]-hydroxymethanolate IUPAC Name: (Z)-[7-bromo-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepin-4-ylidene]-hydroxymethanolate Traditional Name: (Z)-(7-bromo-5-keto-1-tosyl-2,3-dihydro-1-benzazepin-4-ylidene)-hydroxy-methanolate Formula: C18H15BrNO5S- MolecularWeight: 437.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(O)[O-])C(=O)C3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC/C(=C(/O)\[O-])/C(=O)C3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H16BrNO5S/c1-11-2-5-13(6-3-11)26(24,25)20-9-8-14(18(22)23)17(21)15-10-12(19)4-7-16(15)20/h2-7,10,22-23H,8-9H2,1H3/p-1