S-phenethyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-phenethyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-phenethyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carbothioate CAS Name: 1-(4-ethylphenyl)sulfonyl-2-pyrrolidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carbothioate Traditional Name: 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carbothioic acid S-phenethyl ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S2/c1-2-17-10-12-19(13-11-17)27(24,25)22-15-6-9-20(22)21(23)26-16-14-18-7-4-3-5-8-18/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3