phenyl 3-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-2-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 3-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-2-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 3-bromo-4-(1-formamido-3-oxo-propyl)-2-isopropylsulfonyl-benzenesulfonate CAS Name: 3-bromo-4-(1-formamido-3-oxopropyl)-2-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-bromo-4-(1-formamido-3-oxopropyl)-2-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 3-bromo-4-(1-formamido-3-keto-propyl)-2-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C19H20BrNO7S2 MolecularWeight: 518.3986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1Br)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1Br)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

InChI

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