ethyl 4-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(3,4,5-triethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,4,5-triethoxybenzoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C26H34N2O8S MolecularWeight: 534.62176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H34N2O8S/c1-5-33-22-17-20(18-23(34-6-2)24(22)35-7-3)25(29)27-13-15-28(16-14-27)37(31,32)21-11-9-19(10-12-21)26(30)36-8-4/h9-12,17-18H,5-8,13-16H2,1-4H3