phenyl 1-oxidanylidene-2-[phenyl-(phenylsulfonylcarbonylamino)methyl]pentane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(phenylsulfonylcarbonylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 2-[(benzenesulfonylcarbonylamino)-phenyl-methyl]-1-oxo-pentane-1-sulfonate CAS Name: 2-[[[benzenesulfonyl(oxo)methyl]amino]-phenylmethyl]-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[(benzenesulfonylcarbonylamino)-phenylmethyl]-1-oxopentane-1-sulfonate Traditional Name: 2-[(besylcarbonylamino)-phenyl-methyl]-1-keto-pentane-1-sulfonic acid phenyl ester Formula: C25H25NO7S2 MolecularWeight: 515.5985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO7S2/c1-2-12-22(24(27)35(31,32)33-20-15-8-4-9-16-20)23(19-13-6-3-7-14-19)26-25(28)34(29,30)21-17-10-5-11-18-21/h3-11,13-18,22-23H,2,12H2,1H3,(H,26,28)