S-(3-phenylpropyl) 2-[(phenylmethyl)sulfonyl-propyl-amino]ethanethioate

Systemtic Name: S-(3-phenylpropyl) 2-[(phenylmethyl)sulfonyl-propyl-amino]ethanethioate Openeye Name: S-(3-phenylpropyl) 2-[benzylsulfonyl(propyl)amino]ethanethioate CAS Name: 2-[(phenylmethyl)sulfonyl-propylamino]ethanethioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 2-[benzylsulfonyl(propyl)amino]ethanethioate Traditional Name: 2-[benzylsulfonyl(propyl)amino]ethanethioic acid S-(3-phenylpropyl) ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)SCCCC1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCN(CC(=O)SCCCC1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO3S2/c1-2-15-22(27(24,25)18-20-12-7-4-8-13-20)17-21(23)26-16-9-14-19-10-5-3-6-11-19/h3-8,10-13H,2,9,14-18H2,1H3