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methyl 2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

methyl 2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name:methyl 2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate
Openeye Name:methyl 3-benzylsulfanyl-2-[(4-butoxyphenyl)sulfonylamino]propanoate
CAS Name:2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester
IUPAC Name:methyl 3-benzylsulfanyl-2-[(4-butoxyphenyl)sulfonylamino]propanoate
Traditional Name:3-(benzylthio)-2-[(4-butoxyphenyl)sulfonylamino]propionic acid methyl ester
Formula: C21H27NO5S2
MolecularWeight: 437.57278
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC


Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC


InChI

InChI=1S/C21H27NO5S2/c1-3-4-14-27-18-10-12-19(13-11-18)29(24,25)22-20(21(23)26-2)16-28-15-17-8-6-5-7-9-17/h5-13,20,22H,3-4,14-16H2,1-2H3


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