N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)OC)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-27-17-12-16(18(28-2)11-15(17)22)23-21(26)14-7-3-4-8-19(14)29-13-20(25)24-9-5-6-10-24/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,23,26)