N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-1-mesyl-nipecotamide Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2CCCN(C2)S(=O)(=O)C)OCC

InChI

InChI=1S/C21H34N2O5S/c1-6-27-18-11-10-16(13-19(18)28-7-2)20(15(3)4)22-21(24)17-9-8-12-23(14-17)29(5,25)26/h10-11,13,15,17,20H,6-9,12,14H2,1-5H3,(H,22,24)