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

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-(phenylmethyl)-2-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 6-benzyl-3-(1-formamido-3-oxo-propyl)-2-isopropylsulfonyl-benzenesulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-6-(phenylmethyl)-2-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-benzyl-3-(1-formamido-3-oxopropyl)-2-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 6-benzyl-3-(1-formamido-3-keto-propyl)-2-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3)C(CC=O)NC=O

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3)C(CC=O)NC=O

InChI

InChI=1S/C26H27NO7S2/c1-19(2)35(30,31)26-23(24(15-16-28)27-18-29)14-13-21(17-20-9-5-3-6-10-20)25(26)36(32,33)34-22-11-7-4-8-12-22/h3-14,16,18-19,24H,15,17H2,1-2H3,(H,27,29)