2-[(4-bromophenyl)sulfonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynyl]amino]but-3-enyl benzoate

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynyl]amino]but-3-enyl benzoate Openeye Name: 2-[(4-bromophenyl)sulfonyl-[4-(tert-butoxycarbonylamino)but-2-ynyl]amino]but-3-enyl benzoate CAS Name: benzoic acid 2-[(4-bromophenyl)sulfonyl-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]but-2-ynyl]amino]but-3-enyl ester IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynyl]amino]but-3-enyl benzoate Traditional Name: benzoic acid 2-[brosyl-[4-(tert-butoxycarbonylamino)but-2-ynyl]amino]but-3-enyl ester Formula: C26H29BrN2O6S MolecularWeight: 577.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CCN(C(COC(=O)C1=CC=CC=C1)C=C)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CCN(C(COC(=O)C1=CC=CC=C1)C=C)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C26H29BrN2O6S/c1-5-22(19-34-24(30)20-11-7-6-8-12-20)29(36(32,33)23-15-13-21(27)14-16-23)18-10-9-17-28-25(31)35-26(2,3)4/h5-8,11-16,22H,1,17-19H2,2-4H3,(H,28,31)