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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)N(C3=CC=CC(=C3C)CN4CCNCC4)C(=O)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C#N)C)N(C3=CC=CC(=C3C)CN4CCNCC4)C(=O)C

InChI

InChI=1S/C27H36N6O3S/c1-20-17-31(18-21(2)33(20)37(35,36)26-9-5-7-24(15-26)16-28)32(23(4)34)27-10-6-8-25(22(27)3)19-30-13-11-29-12-14-30/h5-10,15,20-21,29H,11-14,17-19H2,1-4H3