O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(octylsulfonylamino)butanedioate

Systemtic Name: O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(octylsulfonylamino)butanedioate Openeye Name: O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(octylsulfonylamino)butanedioate CAS Name: (2S)-2-(octylsulfonylamino)butanedioic acid O4-cyclopentyl ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-cyclopentyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-(octylsulfonylamino)butanedioate Traditional Name: (2S)-2-(octylsulfonylamino)succinic acid O4-cyclopentyl ester O1-p-anisyl ester Formula: C25H39NO7S MolecularWeight: 497.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(CC(=O)OC1CCCC1)C(=O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C25H39NO7S/c1-3-4-5-6-7-10-17-34(29,30)26-23(18-24(27)33-22-11-8-9-12-22)25(28)32-19-20-13-15-21(31-2)16-14-20/h13-16,22-23,26H,3-12,17-19H2,1-2H3/t23-/m0/s1