(3R)-N-(1,3-benzodioxol-5-yl)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-nipecotamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O6S/c1-2-28-18-7-5-15(22)10-20(18)31(26,27)24-9-3-4-14(12-24)21(25)23-16-6-8-17-19(11-16)30-13-29-17/h5-8,10-11,14H,2-4,9,12-13H2,1H3,(H,23,25)/t14-/m1/s1