[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)methanone

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)methanone Openeye Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-(2-tert-butyl-5-cyclopropyl-3-pyrazolyl)methanone IUPAC Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2-tert-butyl-5-cyclopropylpyrazol-3-yl)methanone Traditional Name: [4-(3-bromophenyl)sulfonylpiperazino]-(2-tert-butyl-5-cyclopropyl-pyrazol-3-yl)methanone Formula: C21H27BrN4O3S MolecularWeight: 495.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H27BrN4O3S/c1-21(2,3)26-19(14-18(23-26)15-7-8-15)20(27)24-9-11-25(12-10-24)30(28,29)17-6-4-5-16(22)13-17/h4-6,13-15H,7-12H2,1-3H3