3-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonic acid

Systemtic Name: 3-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonic acid Openeye Name: 3-[4-[(4-allyloxyphenyl)methyl]piperazine-1-carbonyl]benzenesulfonic acid CAS Name: 3-[oxo-[4-[(4-prop-2-enoxyphenyl)methyl]-1-piperazinyl]methyl]benzenesulfonic acid IUPAC Name: 3-[4-[(4-prop-2-enoxyphenyl)methyl]piperazine-1-carbonyl]benzenesulfonic acid Traditional Name: 3-[4-(4-allyloxybenzyl)piperazine-1-carbonyl]besylic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-2-14-28-19-8-6-17(7-9-19)16-22-10-12-23(13-11-22)21(24)18-4-3-5-20(15-18)29(25,26)27/h2-9,15H,1,10-14,16H2,(H,25,26,27)