2-chloranyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-5-(methylthio)benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=C(C=CC(=C2)SC)Cl)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2=C(C=CC(=C2)SC)Cl)N3CCCC3

InChI

InChI=1S/C21H25ClN2O2S/c1-26-20-8-4-3-7-16(20)19(24-11-5-6-12-24)14-23-21(25)17-13-15(27-2)9-10-18(17)22/h3-4,7-10,13,19H,5-6,11-12,14H2,1-2H3,(H,23,25)