2-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-3-enyl benzoate

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-3-enyl benzoate Openeye Name: 2-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-3-enyl benzoate CAS Name: benzoic acid 2-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-3-enyl ester IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-3-enyl benzoate Traditional Name: benzoic acid 2-[brosyl-[4-[(2-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-3-enyl ester Formula: C27H24BrN3O8S2 MolecularWeight: 662.52876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24BrN3O8S2/c1-2-23(20-39-27(32)21-10-4-3-5-11-21)30(41(37,38)24-16-14-22(28)15-17-24)19-9-8-18-29-40(35,36)26-13-7-6-12-25(26)31(33)34/h2-7,10-17,23,29H,1,18-20H2