(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-homoveratryl-1-mesyl-nipecotamide Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C)OC

InChI

InChI=1S/C17H26N2O5S/c1-23-15-7-6-13(11-16(15)24-2)8-9-18-17(20)14-5-4-10-19(12-14)25(3,21)22/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H,18,20)/t14-/m0/s1