4-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl benzoate

Systemtic Name: 4-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl benzoate Openeye Name: 4-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl benzoate CAS Name: benzoic acid 4-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl ester IUPAC Name: 4-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl benzoate Traditional Name: benzoic acid 4-[brosyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl ester Formula: C27H22BrN3O8S2 MolecularWeight: 660.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CCN(CC#CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#CCN(CC#CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H22BrN3O8S2/c28-23-14-16-24(17-15-23)41(37,38)30(20-8-9-21-39-27(32)22-10-2-1-3-11-22)19-7-6-18-29-40(35,36)26-13-5-4-12-25(26)31(33)34/h1-5,10-17,29H,18-21H2