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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-isonipecotamide Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-27-17-5-3-15(11-16(17)21)30(25,26)23-8-6-13(7-9-23)20(24)22-14-2-4-18-19(10-14)29-12-28-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,24)