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

Systemtic Name: phenyl 1-oxidanylidene-2-[(phenoxysulfonylcarbonylamino)-phenyl-methyl]pentane-1-sulfonate Openeye Name: phenyl 1-oxo-2-[(phenoxysulfonylcarbonylamino)-phenyl-methyl]pentane-1-sulfonate CAS Name: 1-oxo-2-[[[oxo(phenoxysulfonyl)methyl]amino]-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[(phenoxysulfonylcarbonylamino)-phenylmethyl]pentane-1-sulfonate Traditional Name: 1-keto-2-[(phenoxysulfonylcarbonylamino)-phenyl-methyl]pentane-1-sulfonic acid phenyl ester Formula: C25H25NO8S2 MolecularWeight: 531.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)OC2=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)OC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO8S2/c1-2-12-22(24(27)35(29,30)33-20-15-8-4-9-16-20)23(19-13-6-3-7-14-19)26-25(28)36(31,32)34-21-17-10-5-11-18-21/h3-11,13-18,22-23H,2,12H2,1H3,(H,26,28)