N-[(3,4-dichlorophenyl)methyl]-3-[[(4-sulfanylpyrrolidin-2-yl)methylamino]methoxy]benzamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-3-[[(4-sulfanylpyrrolidin-2-yl)methylamino]methoxy]benzamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-3-[[(4-sulfanylpyrrolidin-2-yl)methylamino]methoxy]benzamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-3-[[(4-mercapto-2-pyrrolidinyl)methylamino]methoxy]benzamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-3-[[(4-sulfanylpyrrolidin-2-yl)methylamino]methoxy]benzamide Traditional Name: N-(3,4-dichlorobenzyl)-3-[[(4-mercaptopyrrolidin-2-yl)methylamino]methoxy]benzamide Formula: C20H23Cl2N3O2S MolecularWeight: 440.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CNCOC2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)S

Isomeric SMILES

C1C(CNC1CNCOC2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl)S

InChI

InChI=1S/C20H23Cl2N3O2S/c21-18-5-4-13(6-19(18)22)9-25-20(26)14-2-1-3-16(7-14)27-12-23-10-15-8-17(28)11-24-15/h1-7,15,17,23-24,28H,8-12H2,(H,25,26)