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

Systemtic Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(2-methyl-5-methylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(2-methyl-5-methylsulfonyl-phenyl)acetamide CAS Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-(2-methyl-5-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(2-methyl-5-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(5-mesyl-2-methyl-phenyl)acetamide Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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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)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S2/c1-16-9-10-20(33(5,29)30)12-22(16)25-23(28)15-26-13-17(2)27(18(3)14-26)34(31,32)21-8-6-7-19(11-21)24-4/h6-12,17-18H,13-15H2,1-3,5H3,(H,25,28)