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

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-piperonyl-nipecotamide Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-2-29-19-8-6-17(11-18(19)23)32(27,28)25-9-3-4-16(13-25)22(26)24-12-15-5-7-20-21(10-15)31-14-30-20/h5-8,10-11,16H,2-4,9,12-14H2,1H3,(H,24,26)/t16-/m0/s1