(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,5-dimethylpiperidin-1-yl)methanone

Systemtic Name: (2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,5-dimethylpiperidin-1-yl)methanone Openeye Name: (2-bromo-5-pyrrolidin-1-ylsulfonyl-phenyl)-(3,5-dimethyl-1-piperidyl)methanone CAS Name: [2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-(3,5-dimethyl-1-piperidinyl)methanone IUPAC Name: (2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpiperidin-1-yl)methanone Traditional Name: (2-bromo-5-pyrrolidinosulfonyl-phenyl)-(3,5-dimethylpiperidino)methanone Formula: C18H25BrN2O3S MolecularWeight: 429.3717

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br)C

InChI

InChI=1S/C18H25BrN2O3S/c1-13-9-14(2)12-20(11-13)18(22)16-10-15(5-6-17(16)19)25(23,24)21-7-3-4-8-21/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3