[4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)piperazino]-(2-furyl)methanone Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H22BrN3O5S/c21-17-6-5-15(30(27,28)24-7-1-2-8-24)14-16(17)19(25)22-9-11-23(12-10-22)20(26)18-4-3-13-29-18/h3-6,13-14H,1-2,7-12H2