2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-[2-methyl-5-(piperazinomethyl)phenyl]acetamide Formula: C27H36N6O3S MolecularWeight: 524.67814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=C(C=CC(=C3)CN4CCNCC4)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)CC(=O)NC3=C(C=CC(=C3)CN4CCNCC4)C

InChI

InChI=1S/C27H36N6O3S/c1-20-7-8-24(18-31-11-9-29-10-12-31)14-26(20)30-27(34)19-32-16-21(2)33(22(3)17-32)37(35,36)25-6-4-5-23(13-25)15-28/h4-8,13-14,21-22,29H,9-12,16-19H2,1-3H3,(H,30,34)