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

Systemtic Name: N-[2-(butylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]-4-chloranyl-benzamide Openeye Name: N-[2-(butylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]-4-chloro-benzamide CAS Name: N-[2-(butylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-4-chlorobenzamide IUPAC Name: N-[2-(butylamino)-5-pyrrolidin-1-ylsulfonylphenyl]-4-chlorobenzamide Traditional Name: N-[2-(butylamino)-5-pyrrolidinosulfonyl-phenyl]-4-chloro-benzamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-2-3-12-23-19-11-10-18(29(27,28)25-13-4-5-14-25)15-20(19)24-21(26)16-6-8-17(22)9-7-16/h6-11,15,23H,2-5,12-14H2,1H3,(H,24,26)