N-[(3,4-diethoxyphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C26H36N2O5S MolecularWeight: 488.63944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)OCC

InChI

InChI=1S/C26H36N2O5S/c1-3-32-24-15-14-22(18-25(24)33-4-2)19-27-26(29)23-13-8-16-28(20-23)34(30,31)17-9-12-21-10-6-5-7-11-21/h5-7,10-11,14-15,18,23H,3-4,8-9,12-13,16-17,19-20H2,1-2H3,(H,27,29)