2-methylprop-2-enyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 2-methylprop-2-enyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 2-methylallyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 2-methylprop-2-enyl ester IUPAC Name: 2-methylprop-2-enyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid 2-methylallyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-13(2)12-24-17(21)15-5-4-6-16(11-15)25(22,23)19-9-7-18(8-10-19)14(3)20/h4-6,11H,1,7-10,12H2,2-3H3