2-phenoxyethyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 2-phenoxyethyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 2-phenoxyethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid 2-phenoxyethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O6S/c1-17(24)22-11-13-23(14-12-22)30(26,27)20-9-7-18(8-10-20)21(25)29-16-15-28-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3