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

Systemtic Name: phenyl 2-ethoxy-3-(1-formamido-3-oxidanylidene-propyl)-6-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 2-ethoxy-3-(1-formamido-3-oxo-propyl)-6-isopropylsulfonyl-benzenesulfonate CAS Name: 2-ethoxy-3-(1-formamido-3-oxopropyl)-6-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-ethoxy-3-(1-formamido-3-oxopropyl)-6-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 2-ethoxy-3-(1-formamido-3-keto-propyl)-6-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C21H25NO8S2 MolecularWeight: 483.5551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C(C)C)C(CC=O)NC=O

Isomeric SMILES

CCOC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C(C)C)C(CC=O)NC=O

InChI

InChI=1S/C21H25NO8S2/c1-4-29-20-17(18(12-13-23)22-14-24)10-11-19(31(25,26)15(2)3)21(20)32(27,28)30-16-8-6-5-7-9-16/h5-11,13-15,18H,4,12H2,1-3H3,(H,22,24)