ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]piperazine-2-carboxylate

Systemtic Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]piperazine-2-carboxylate Openeye Name: ethyl 4-[2-(tert-butoxycarbonylamino)acetyl]-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)acetyl]-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid ethyl ester Formula: C24H33N3O8S MolecularWeight: 523.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N3O8S/c1-6-8-15-34-18-9-11-19(12-10-18)36(31,32)27-14-13-26(17-20(27)22(29)33-7-2)21(28)16-25-23(30)35-24(3,4)5/h9-12,20H,7,13-17H2,1-5H3,(H,25,30)