N-[(4-butoxyphenyl)methyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(4-butoxyphenyl)methyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-butoxyphenyl)methyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4-butoxyphenyl)methyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-butoxybenzyl)-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-2-3-14-29-18-8-6-17(7-9-18)16-24-22(26)20-15-19(10-11-21(20)23)30(27,28)25-12-4-5-13-25/h6-11,15H,2-5,12-14,16H2,1H3,(H,24,26)