phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(phenylsulfonylcarbonylamino)methyl]pentane-1-sulfonate

Systemtic Name: phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(phenylsulfonylcarbonylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 2-[(benzenesulfonylcarbonylamino)-phenyl-methyl]-4-methyl-1-oxo-pentane-1-sulfonate CAS Name: 2-[[[benzenesulfonyl(oxo)methyl]amino]-phenylmethyl]-4-methyl-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[(benzenesulfonylcarbonylamino)-phenylmethyl]-4-methyl-1-oxopentane-1-sulfonate Traditional Name: 2-[(besylcarbonylamino)-phenyl-methyl]-1-keto-4-methyl-pentane-1-sulfonic acid phenyl ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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

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