4-tert-butyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-tert-butyl-benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-tert-butyl-benzenesulfonamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2S/c1-27(2,3)23-9-15-26(16-10-23)33(31,32)28-24-11-13-25(14-12-24)30-19-17-29(18-20-30)21-22-7-5-4-6-8-22/h4-16,28H,17-21H2,1-3H3