ethyl 4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetyl]amino]benzoic acid ethyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H33N3O5S/c1-5-33-24(30)19-6-10-21(11-7-19)26-23(29)18-27-14-16-28(17-15-27)34(31,32)22-12-8-20(9-13-22)25(2,3)4/h6-13H,5,14-18H2,1-4H3,(H,26,29)