N-[4-(cyanomethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(cyanomethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(cyanomethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OCC#N)C

InChI

InChI=1S/C22H25N3O4S/c1-16-3-8-21(17(2)15-16)30(27,28)25-12-9-18(10-13-25)22(26)24-19-4-6-20(7-5-19)29-14-11-23/h3-8,15,18H,9-10,12-14H2,1-2H3,(H,24,26)