(3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-N-veratryl-nipecotamide Formula: C23H29FN2O5S MolecularWeight: 464.550163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29FN2O5S/c1-4-25(15-17-7-12-21(30-2)22(14-17)31-3)23(27)18-6-5-13-26(16-18)32(28,29)20-10-8-19(24)9-11-20/h7-12,14,18H,4-6,13,15-16H2,1-3H3/t18-/m0/s1