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

Systemtic Name: O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(butylsulfonylamino)butanedioate Openeye Name: O4-cyclopentyl O1-[(4-methoxyphenyl)methyl] (2S)-2-(butylsulfonylamino)butanedioate CAS Name: (2S)-2-(butylsulfonylamino)butanedioic acid O4-cyclopentyl ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-cyclopentyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-(butylsulfonylamino)butanedioate Traditional Name: (2S)-2-(butylsulfonylamino)succinic acid O4-cyclopentyl ester O1-p-anisyl ester Formula: C21H31NO7S MolecularWeight: 441.53834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO7S/c1-3-4-13-30(25,26)22-19(14-20(23)29-18-7-5-6-8-18)21(24)28-15-16-9-11-17(27-2)12-10-16/h9-12,18-19,22H,3-8,13-15H2,1-2H3/t19-/m0/s1