methyl 2-[4-[(2S)-2-[(4-carbamothioylphenyl)sulfonylamino]propyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(2S)-2-[(4-carbamothioylphenyl)sulfonylamino]propyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[(2S)-2-[(4-carbamothioylphenyl)sulfonylamino]propyl]phenoxy]acetate CAS Name: 2-[4-[(2S)-2-[(4-carbamothioylphenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2S)-2-[(4-carbamothioylphenyl)sulfonylamino]propyl]phenoxy]acetate Traditional Name: 2-[4-[(2S)-2-[(4-thiocarbamoylphenyl)sulfonylamino]propyl]phenoxy]acetic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)OCC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C19H22N2O5S2/c1-13(11-14-3-7-16(8-4-14)26-12-18(22)25-2)21-28(23,24)17-9-5-15(6-10-17)19(20)27/h3-10,13,21H,11-12H2,1-2H3,(H2,20,27)/t13-/m0/s1