ethyl 4-[4-(3-phenylbutanoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-phenylbutanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-phenylbutanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(1-oxo-3-phenylbutyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-phenylbutanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-phenylbutanoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-3-30-23(27)20-9-11-21(12-10-20)31(28,29)25-15-13-24(14-16-25)22(26)17-18(2)19-7-5-4-6-8-19/h4-12,18H,3,13-17H2,1-2H3