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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)propionamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S2/c1-2-28-19-10-7-17(15-20(19)30(26,27)24-12-3-4-13-24)23-21(25)11-14-29-18-8-5-16(22)6-9-18/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)