N-(5-bromanylpyridin-2-yl)-3-pyrrolidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-benzamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-3-pyrrolidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-benzamide Openeye Name: N-(5-bromo-2-pyridyl)-3-pyrrolidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzamide CAS Name: N-(5-bromo-2-pyridinyl)-N-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-bromopyridin-2-yl)-3-pyrrolidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzamide Traditional Name: N-(5-bromo-2-pyridyl)-3-pyrrolidinosulfonyl-N-(3-pyrrolidinosulfonylbenzoyl)benzamide Formula: C27H27BrN4O6S2 MolecularWeight: 647.56048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C3=NC=C(C=C3)Br)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C3=NC=C(C=C3)Br)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H27BrN4O6S2/c28-22-11-12-25(29-19-22)32(26(33)20-7-5-9-23(17-20)39(35,36)30-13-1-2-14-30)27(34)21-8-6-10-24(18-21)40(37,38)31-15-3-4-16-31/h5-12,17-19H,1-4,13-16H2