[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

Systemtic Name: [4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone Openeye Name: [4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone CAS Name: [4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-[(1S,2S)-2-methylcyclopropyl]methanone IUPAC Name: [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone Traditional Name: [4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-[(1S,2S)-2-methylcyclopropyl]methanone Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Br)C

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C16H21BrN2O3S/c1-11-10-14(11)16(20)18-5-7-19(8-6-18)23(21,22)13-3-4-15(17)12(2)9-13/h3-4,9,11,14H,5-8,10H2,1-2H3/t11-,14-/m0/s1