N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-o-veratryl-nipecotamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H28N2O6S/c1-28-18-9-11-19(12-10-18)31(26,27)24-13-5-7-17(15-24)22(25)23-14-16-6-4-8-20(29-2)21(16)30-3/h4,6,8-12,17H,5,7,13-15H2,1-3H3,(H,23,25)