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

Systemtic Name: 2-bromanyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-(1-pyrrolidinylmethyl)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(pyrrolidinomethyl)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

InChI

InChI=1S/C22H26BrN3O3S/c23-21-9-8-19(30(28,29)26-12-3-4-13-26)15-20(21)22(27)24-18-7-5-6-17(14-18)16-25-10-1-2-11-25/h5-9,14-15H,1-4,10-13,16H2,(H,24,27)