phenyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: phenyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: phenyl 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[methyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-mesylphenyl)-3-pyridyl]methyl-methyl-amino]piperidine-1-carboxylic acid phenyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-28(22-14-16-29(17-15-22)26(30)33-23-6-4-3-5-7-23)19-20-8-13-25(27-18-20)21-9-11-24(12-10-21)34(2,31)32/h3-13,18,22H,14-17,19H2,1-2H3