(4-tert-butylphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: (4-besylpiperazino)-(4-tert-butylphenyl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)18-11-9-17(10-12-18)20(24)22-13-15-23(16-14-22)27(25,26)19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3