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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-27-17-7-5-15(10-16(17)21)30(25,26)23-8-2-3-13(11-23)20(24)22-14-4-6-18-19(9-14)29-12-28-18/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H,22,24)