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

Systemtic Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(3-methoxy-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-(3-methoxy-2-methyl-phenyl)acetamide CAS Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-(3-methoxy-2-methylphenyl)acetamide IUPAC Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(3-methoxy-2-methylphenyl)acetamide Traditional Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-(3-methoxy-2-methyl-phenyl)acetamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-16-13-26(15-23(28)25-21-10-7-11-22(31-5)18(21)3)14-17(2)27(16)32(29,30)20-9-6-8-19(12-20)24-4/h6-12,16-17H,13-15H2,1-3,5H3,(H,25,28)