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

Systemtic Name: ethyl 4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-phenylpropanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-hydrocinnamoylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-2-29-22(26)19-9-11-20(12-10-19)30(27,28)24-16-14-23(15-17-24)21(25)13-8-18-6-4-3-5-7-18/h3-7,9-12H,2,8,13-17H2,1H3