5-tert-butyl-2-methyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[3-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[3-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H32N4O3S/c1-20-11-12-22(27(2,3)4)19-24(20)35(33,34)29-23-9-7-8-21(18-23)26(32)31-16-14-30(15-17-31)25-10-5-6-13-28-25/h5-13,18-19,29H,14-17H2,1-4H3