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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-28-18-5-3-16(11-17(18)22)31(26,27)24-8-6-15(7-9-24)21(25)23-12-14-2-4-19-20(10-14)30-13-29-19/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,23,25)