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

Systemtic Name: [4-(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-(2-bromo-5-pyrrolidinosulfonyl-benzoyl)piperazino]-cyclopropyl-methanone Formula: C19H24BrN3O4S MolecularWeight: 470.38056

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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)C4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C19H24BrN3O4S/c20-17-6-5-15(28(26,27)23-7-1-2-8-23)13-16(17)19(25)22-11-9-21(10-12-22)18(24)14-3-4-14/h5-6,13-14H,1-4,7-12H2