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

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-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)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S/c1-2-28-18-8-6-16(11-17(18)22)31(26,27)24-9-3-4-14(12-24)21(25)23-15-5-7-19-20(10-15)30-13-29-19/h5-8,10-11,14H,2-4,9,12-13H2,1H3,(H,23,25)/t14-/m0/s1