2-oxidanylidenepropyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 2-oxidanylidenepropyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: acetonyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid acetonyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-16(23)15-27-20(24)17-6-5-9-19(14-17)28(25,26)22-12-10-21(11-13-22)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3