[(E)-4-[(3-chlorophenyl)-methyl-propoxy-azaniumyl]-3-oxidanyl-2-oxidanylidene-pent-3-enyl]-(4-sulfamoylphenyl)azanide

Systemtic Name: [(E)-4-[(3-chlorophenyl)-methyl-propoxy-azaniumyl]-3-oxidanyl-2-oxidanylidene-pent-3-enyl]-(4-sulfamoylphenyl)azanide Openeye Name: [(E)-4-[(3-chlorophenyl)-methyl-propoxy-ammonio]-3-hydroxy-2-oxo-pent-3-enyl]-(4-sulfamoylphenyl)azanide CAS Name: [(E)-4-[(3-chlorophenyl)-methyl-propoxyammonio]-3-hydroxy-2-oxopent-3-enyl]-(4-sulfamoylphenyl)azanide IUPAC Name: [(E)-4-[(3-chlorophenyl)-methyl-propoxyazaniumyl]-3-hydroxy-2-oxopent-3-enyl]-(4-sulfamoylphenyl)azanide Traditional Name: [(E)-4-[(3-chlorophenyl)-methyl-propoxy-ammonio]-3-hydroxy-2-keto-pent-3-enyl]-(4-sulfamoylphenyl)azanide Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

CCCO[N+](C)(C1=CC(=CC=C1)Cl)C(=C(C(=O)C[N-]C2=CC=C(C=C2)S(=O)(=O)N)O)C

Isomeric SMILES

CCCO[N+](C)(C1=CC(=CC=C1)Cl)/C(=C(\C(=O)C[N-]C2=CC=C(C=C2)S(=O)(=O)N)/O)/C

InChI

InChI=1S/C21H26ClN3O5S/c1-4-12-30-25(3,18-7-5-6-16(22)13-18)15(2)21(27)20(26)14-24-17-8-10-19(11-9-17)31(23,28)29/h5-11,13,27H,4,12,14H2,1-3H3,(H2,23,28,29)/b21-15+