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

Systemtic Name: N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]ethanamide Openeye Name: N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide CAS Name: N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]acetamide IUPAC Name: N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide Traditional Name: N-[4-(3-cyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-[2-methyl-5-(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=C(C=CC(=C3)CN4CCNCC4)C)C(=O)C

Isomeric SMILES

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

InChI

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