N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-mesyl-nipecotamide Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)NC(=O)C2CCCN(C2)S(=O)(=O)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)NC(=O)C2CCCN(C2)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C18H28N2O5S/c1-12-9-16(24-3)17(25-4)10-15(12)13(2)19-18(21)14-7-6-8-20(11-14)26(5,22)23/h9-10,13-14H,6-8,11H2,1-5H3,(H,19,21)