N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]piperidine-4-carboxamide CAS Name: N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[3-(4-ethoxy-3-methoxy-phenyl)propyl]isonipecotamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C25H34N2O5S/c1-3-32-23-12-11-20(18-24(23)31-2)10-7-15-26-25(28)22-13-16-27(17-14-22)33(29,30)19-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,22H,3,7,10,13-17,19H2,1-2H3,(H,26,28)