3-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCSC2=CC(=C(C=C2)C)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCSC2=CC(=C(C=C2)C)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H30N2O4S2/c1-4-29-21-10-8-19(16-22(21)31(27,28)25-12-5-6-13-25)24-23(26)11-14-30-20-9-7-17(2)18(3)15-20/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,26)