3-(3,4-dimethylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2O3S2/c1-16-8-9-19(14-17(16)2)27-13-10-21(24)22-18-6-5-7-20(15-18)28(25,26)23-11-3-4-12-23/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,24)