1-ethylsulfonyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[(4-isopentyloxy-3-methoxy-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-ethylsulfonyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-esyl-N-(4-isoamoxy-3-methoxy-benzyl)isonipecotamide Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C21H34N2O5S/c1-5-29(25,26)23-11-8-18(9-12-23)21(24)22-15-17-6-7-19(20(14-17)27-4)28-13-10-16(2)3/h6-7,14,16,18H,5,8-13,15H2,1-4H3,(H,22,24)