(3R)-1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(4-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Traditional Name: (3R)-1-p-phenetylsulfonyl-N-(4-pyridylmethyl)nipecotamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O4S/c1-2-27-18-5-7-19(8-6-18)28(25,26)23-13-3-4-17(15-23)20(24)22-14-16-9-11-21-12-10-16/h5-12,17H,2-4,13-15H2,1H3,(H,22,24)/t17-/m1/s1