2-chloranylprop-2-enyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 2-chloranylprop-2-enyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 2-chloroallyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid 2-chloroallyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

C=C(COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-17(22)16-28-21(25)19-8-5-9-20(14-19)29(26,27)24-12-10-23(11-13-24)15-18-6-3-2-4-7-18/h2-9,14H,1,10-13,15-16H2