[[1-azanyl-2-(4-tert-butylphenyl)sulfonyl-ethylidene]amino] 4-(bromomethyl)benzenesulfonate

Systemtic Name: [[1-azanyl-2-(4-tert-butylphenyl)sulfonyl-ethylidene]amino] 4-(bromomethyl)benzenesulfonate Openeye Name: [[1-amino-2-(4-tert-butylphenyl)sulfonyl-ethylidene]amino] 4-(bromomethyl)benzenesulfonate CAS Name: 4-(bromomethyl)benzenesulfonic acid [[1-amino-2-(4-tert-butylphenyl)sulfonylethylidene]amino] ester IUPAC Name: [[1-amino-2-(4-tert-butylphenyl)sulfonylethylidene]amino] 4-(bromomethyl)benzenesulfonate Traditional Name: 4-(bromomethyl)benzenesulfonic acid [[1-amino-2-(4-tert-butylphenyl)sulfonyl-ethylidene]amino] ester Formula: C19H23BrN2O5S2 MolecularWeight: 503.43032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(=NOS(=O)(=O)C2=CC=C(C=C2)CBr)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(=NOS(=O)(=O)C2=CC=C(C=C2)CBr)N

InChI

InChI=1S/C19H23BrN2O5S2/c1-19(2,3)15-6-10-16(11-7-15)28(23,24)13-18(21)22-27-29(25,26)17-8-4-14(12-20)5-9-17/h4-11H,12-13H2,1-3H3,(H2,21,22)