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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2,3-bis(propan-2-ylsulfonyl)benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-2,3-bis(isopropylsulfonyl)benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2,3-bis(propan-2-ylsulfonyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-2,3-bis(propan-2-ylsulfonyl)benzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2,3-bis(isopropylsulfonyl)benzenesulfonic acid phenyl ester Formula: C22H27NO9S3 MolecularWeight: 545.64608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)C(C)C)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)C(C)C)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C22H27NO9S3/c1-15(2)33(26,27)21-18(19(12-13-24)23-14-25)10-11-20(22(21)34(28,29)16(3)4)35(30,31)32-17-8-6-5-7-9-17/h5-11,13-16,19H,12H2,1-4H3,(H,23,25)