(3S)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-chloro-2,5-dimethoxy-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-chloro-2,5-dimethoxy-phenyl)-1-mesyl-nipecotamide Formula: C15H21ClN2O5S MolecularWeight: 376.85564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCN(C2)S(=O)(=O)C)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C15H21ClN2O5S/c1-22-13-8-12(14(23-2)7-11(13)16)17-15(19)10-5-4-6-18(9-10)24(3,20)21/h7-8,10H,4-6,9H2,1-3H3,(H,17,19)/t10-/m0/s1