diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-propan-2-ylsulfonyl-benzene-1,2-disulfonate

Systemtic Name: diphenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-propan-2-ylsulfonyl-benzene-1,2-disulfonate Openeye Name: diphenyl 4-(1-formamido-3-oxo-propyl)-3-isopropylsulfonyl-benzene-1,2-disulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-3-propan-2-ylsulfonylbenzene-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 4-(1-formamido-3-oxopropyl)-3-propan-2-ylsulfonylbenzene-1,2-disulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-3-isopropylsulfonyl-benzene-1,2-disulfonic acid diphenyl ester Formula: C25H25NO10S3 MolecularWeight: 595.6617

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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)S(=O)(=O)OC3=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)S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O

InChI

InChI=1S/C25H25NO10S3/c1-18(2)37(29,30)24-21(22(15-16-27)26-17-28)13-14-23(38(31,32)35-19-9-5-3-6-10-19)25(24)39(33,34)36-20-11-7-4-8-12-20/h3-14,16-18,22H,15H2,1-2H3,(H,26,28)