4-tert-butyl-N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-[(4-phenylpiperazino)methyl]phenyl]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)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4

InChI

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