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

Systemtic Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-[2-methyl-5-(1-piperazinylmethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[4-(3-isocyanophenyl)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)[N+]#[C-])C)CC(=O)NC3=C(C=CC(=C3)CN4CCNCC4)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)[N+]#[C-])C)CC(=O)NC3=C(C=CC(=C3)CN4CCNCC4)C

InChI

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