N-[1-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidin-4-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidin-4-yl]cyclopropanecarboxamide Openeye Name: N-[1-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)-4-piperidyl]cyclopropanecarboxamide CAS Name: N-[1-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinyl]cyclopropanecarboxamide IUPAC Name: N-[1-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]cyclopropanecarboxamide Traditional Name: N-[1-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)-4-piperidyl]cyclopropanecarboxamide Formula: C20H26BrN3O4S MolecularWeight: 484.40714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCC(CC3)NC(=O)C4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCC(CC3)NC(=O)C4CC4

InChI

InChI=1S/C20H26BrN3O4S/c21-18-6-5-16(29(27,28)24-9-1-2-10-24)13-17(18)20(26)23-11-7-15(8-12-23)22-19(25)14-3-4-14/h5-6,13-15H,1-4,7-12H2,(H,22,25)