S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-pentylphenyl)sulfonyl-amino]propyl] ethanethioate

Systemtic Name: S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-pentylphenyl)sulfonyl-amino]propyl] ethanethioate Openeye Name: S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-pentylphenyl)sulfonyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-pentylphenyl)sulfonylamino]propyl] ester IUPAC Name: S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-pentylphenyl)sulfonylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-amylphenyl)sulfonyl-[2-(3-pyrrolin-1-yl)ethyl]amino]propyl] ester Formula: C22H34N2O3S2 MolecularWeight: 438.64696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCN2CC=CC2)C(C)CSC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCN2CC=CC2)C(C)CSC(=O)C

InChI

InChI=1S/C22H34N2O3S2/c1-4-5-6-9-21-10-12-22(13-11-21)29(26,27)24(19(2)18-28-20(3)25)17-16-23-14-7-8-15-23/h7-8,10-13,19H,4-6,9,14-18H2,1-3H3