N-(2-prop-2-enylsulfanylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O3S2/c1-2-17-28-21-8-4-3-7-20(21)23-22(25)14-11-18-9-12-19(13-10-18)29(26,27)24-15-5-6-16-24/h2-4,7-10,12-13H,1,5-6,11,14-17H2,(H,23,25)