2-bromanyl-N-[3-(propylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[3-(propylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(propylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-[oxo(propylamino)methyl]phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(propylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(propylcarbamoyl)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-2-10-23-20(26)15-6-5-7-16(13-15)24-21(27)18-14-17(8-9-19(18)22)30(28,29)25-11-3-4-12-25/h5-9,13-14H,2-4,10-12H2,1H3,(H,23,26)(H,24,27)