N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(4-chloro-2,5-dimethoxy-phenyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(4-chloro-2,5-dimethoxy-phenyl)isonipecotamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-28-19-13-18(20(29-2)12-17(19)22)23-21(25)16-8-10-24(11-9-16)30(26,27)14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,25)