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

Systemtic Name: 2-bromanyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(cyclopropylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(cyclopropylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(cyclopropylcarbamoyl)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H22BrN3O4S/c22-19-9-8-17(30(28,29)25-10-1-2-11-25)13-18(19)21(27)24-16-5-3-4-14(12-16)20(26)23-15-6-7-15/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,23,26)(H,24,27)