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

Systemtic Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC)OC

InChI

InChI=1S/C21H28N2O5S2/c1-14-12-18(27-3)19(28-4)13-17(14)15(2)22-21(24)16-7-9-23(10-8-16)30(25,26)20-6-5-11-29-20/h5-6,11-13,15-16H,7-10H2,1-4H3,(H,22,24)