[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone

Systemtic Name: [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone Openeye Name: [1-(4-bromophenyl)sulfonyl-3-piperidyl]-(2-phenylpyrrolidin-1-yl)methanone CAS Name: [1-(4-bromophenyl)sulfonyl-3-piperidinyl]-(2-phenyl-1-pyrrolidinyl)methanone IUPAC Name: [1-(4-bromophenyl)sulfonylpiperidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone Traditional Name: (1-brosyl-3-piperidyl)-(2-phenylpyrrolidino)methanone Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCCC3C4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCCC3C4=CC=CC=C4

InChI

InChI=1S/C22H25BrN2O3S/c23-19-10-12-20(13-11-19)29(27,28)24-14-4-8-18(16-24)22(26)25-15-5-9-21(25)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,21H,4-5,8-9,14-16H2