2-chloranyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[[2-(isopropoxymethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(isopropoxymethyl)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-16(2)29-15-18-8-4-3-7-17(18)14-24-22(26)20-13-19(9-10-21(20)23)30(27,28)25-11-5-6-12-25/h3-4,7-10,13,16H,5-6,11-12,14-15H2,1-2H3,(H,24,26)