4-(5-bromanylthiophen-2-yl)-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(5-bromo-2-thienyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide CAS Name: 4-(5-bromo-2-thiophenyl)-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(5-bromothiophen-2-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(5-bromo-2-thienyl)-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)butyramide Formula: C18H21BrN2O4S2 MolecularWeight: 473.40434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O4S2/c19-17-9-6-13(26-17)4-3-5-18(23)20-15-12-14(7-8-16(15)22)27(24,25)21-10-1-2-11-21/h6-9,12,22H,1-5,10-11H2,(H,20,23)