[4-bromanyl-2-[(E)-(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate

Systemtic Name: [4-bromanyl-2-[(E)-(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [2-[(E)-(benzenesulfonylhydrazono)methyl]-4-bromo-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[(E)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] ester IUPAC Name: [2-[(E)-(benzenesulfonylhydrazinylidene)methyl]-4-bromophenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[(E)-(besylhydrazono)methyl]-4-bromo-phenyl] ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O5S/c1-2-14-30-20-11-8-17(9-12-20)23(27)31-22-13-10-19(24)15-18(22)16-25-26-32(28,29)21-6-4-3-5-7-21/h3-13,15-16,26H,2,14H2,1H3/b25-16+