2-chloranyl-5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-10-14(11-19(29-2)20(18)30-3)13-23-21(25)16-12-15(6-7-17(16)22)31(26,27)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,25)