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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-(phenylsulfonyl)-2-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-4-(1-formamido-3-oxo-propyl)-2-isopropylsulfonyl-benzenesulfonate CAS Name: 3-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)-2-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)-2-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 3-besyl-4-(1-formamido-3-keto-propyl)-2-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C25H25NO9S3 MolecularWeight: 579.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)C2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)C2=CC=CC=C2)C(CC=O)NC=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO9S3/c1-18(2)36(29,30)25-23(38(33,34)35-19-9-5-3-6-10-19)14-13-21(22(15-16-27)26-17-28)24(25)37(31,32)20-11-7-4-8-12-20/h3-14,16-18,22H,15H2,1-2H3,(H,26,28)