(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2,5-dimethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(2,5-dimethoxyphenyl)nipecotamide Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)OC)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C=CC(=C3)OC)OC)Cl

InChI

InChI=1S/C22H27ClN2O6S/c1-4-31-20-10-8-17(13-18(20)23)32(27,28)25-11-5-6-15(14-25)22(26)24-19-12-16(29-2)7-9-21(19)30-3/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,24,26)/t15-/m0/s1