methyl 4-[(E)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-besylpiperazino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-28-21(25)18-10-7-17(8-11-18)9-12-20(24)22-13-15-23(16-14-22)29(26,27)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3/b12-9+