1-(2,4-dimethylphenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(3-ethynylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(3-ethynylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(3-ethynylphenyl)isonipecotamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-4-18-6-5-7-20(15-18)23-22(25)19-10-12-24(13-11-19)28(26,27)21-9-8-16(2)14-17(21)3/h1,5-9,14-15,19H,10-13H2,2-3H3,(H,23,25)