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

Systemtic Name: 2-[4-(4-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-(4-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-(4-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-(4-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-(4-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(5-quinolyl)acetamide Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)[N+]#[C-])C)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=C(C=C2)[N+]#[C-])C)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C24H25N5O3S/c1-17-14-28(16-24(30)27-23-8-4-7-22-21(23)6-5-13-26-22)15-18(2)29(17)33(31,32)20-11-9-19(25-3)10-12-20/h4-13,17-18H,14-16H2,1-2H3,(H,27,30)