N-(4-butylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[(4-pyrrolidinosulfonylphenyl)thio]acetamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-2-3-6-18-7-9-19(10-8-18)23-22(25)17-28-20-11-13-21(14-12-20)29(26,27)24-15-4-5-16-24/h7-14H,2-6,15-17H2,1H3,(H,23,25)