N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-1-mesyl-nipecotamide Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C)OC

InChI

InChI=1S/C19H30N2O5S/c1-4-5-11-26-17-9-8-15(12-18(17)25-2)13-20-19(22)16-7-6-10-21(14-16)27(3,23)24/h8-9,12,16H,4-7,10-11,13-14H2,1-3H3,(H,20,22)