phenyl 2-bromanyl-3-(1-formamido-3-oxidanylidene-propyl)-6-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 2-bromanyl-3-(1-formamido-3-oxidanylidene-propyl)-6-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 2-bromo-3-(1-formamido-3-oxo-propyl)-6-isopropylsulfonyl-benzenesulfonate CAS Name: 2-bromo-3-(1-formamido-3-oxopropyl)-6-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-bromo-3-(1-formamido-3-oxopropyl)-6-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 2-bromo-3-(1-formamido-3-keto-propyl)-6-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C19H20BrNO7S2 MolecularWeight: 518.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)Br)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C(=C(C=C1)C(CC=O)NC=O)Br)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C19H20BrNO7S2/c1-13(2)29(24,25)17-9-8-15(16(10-11-22)21-12-23)18(20)19(17)30(26,27)28-14-6-4-3-5-7-14/h3-9,11-13,16H,10H2,1-2H3,(H,21,23)