N-[3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide CAS Name: N-[3-(3-cyanophenyl)-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-2-keto-2-(4-mesylpiperazino)ethyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Formula: C25H32N4O6S2 MolecularWeight: 548.67478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC(=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC(=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C)C)C)OC

InChI

InChI=1S/C25H32N4O6S2/c1-17-13-23(35-4)18(2)19(3)24(17)37(33,34)27-22(15-20-7-6-8-21(14-20)16-26)25(30)28-9-11-29(12-10-28)36(5,31)32/h6-8,13-14,22,27H,9-12,15H2,1-5H3