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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(4-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=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

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

InChI

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