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

Systemtic Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-3-(piperazin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-3-(piperazin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-[2-methyl-3-(1-piperazinylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-[2-methyl-3-(piperazin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-(3-isocyanophenyl)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)[N+]#[C-])C)CC(=O)NC3=CC=CC(=C3C)CN4CCNCC4

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)[N+]#[C-])C)CC(=O)NC3=CC=CC(=C3C)CN4CCNCC4

InChI

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