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

Systemtic Name: phenyl 4-methyl-1-oxidanylidene-2-[(phenoxysulfonylcarbonylamino)-phenyl-methyl]pentane-1-sulfonate Openeye Name: phenyl 4-methyl-1-oxo-2-[(phenoxysulfonylcarbonylamino)-phenyl-methyl]pentane-1-sulfonate CAS Name: 4-methyl-1-oxo-2-[[[oxo(phenoxysulfonyl)methyl]amino]-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 4-methyl-1-oxo-2-[(phenoxysulfonylcarbonylamino)-phenylmethyl]pentane-1-sulfonate Traditional Name: 1-keto-4-methyl-2-[(phenoxysulfonylcarbonylamino)-phenyl-methyl]pentane-1-sulfonic acid phenyl ester Formula: C26H27NO8S2 MolecularWeight: 545.62448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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

CC(C)CC(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/C26H27NO8S2/c1-19(2)18-23(25(28)36(30,31)34-21-14-8-4-9-15-21)24(20-12-6-3-7-13-20)27-26(29)37(32,33)35-22-16-10-5-11-17-22/h3-17,19,23-24H,18H2,1-2H3,(H,27,29)