4-tert-butyl-N-[3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[1-[(3-cyanophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[3-(3-cyanophenyl)-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[1-(3-cyanobenzyl)-2-keto-2-(4-mesylpiperazino)ethyl]benzenesulfonamide Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC(=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC(=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C25H32N4O5S2/c1-25(2,3)21-8-10-22(11-9-21)36(33,34)27-23(17-19-6-5-7-20(16-19)18-26)24(30)28-12-14-29(15-13-28)35(4,31)32/h5-11,16,23,27H,12-15,17H2,1-4H3