N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-tosyl-isonipecotamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-17-5-4-6-19(15-17)22-21(24)18-11-13-23(14-12-18)27(25,26)20-9-7-16(2)8-10-20/h1,4-10,15,18H,11-14H2,2H3,(H,22,24)