N-[4-(tert-butylcarbamoyl)phenyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-22(2,3)25-20(27)15-6-8-16(9-7-15)24-21(28)18-14-17(10-11-19(18)23)31(29,30)26-12-4-5-13-26/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,27)