N-[(3-methylthiophen-2-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-methyl-2-thienyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-methylthiophen-2-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[(3-methyl-2-thienyl)methyl]isonipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H28N2O3S2/c1-14-11-16(3)20(17(4)12-14)28(25,26)23-8-5-18(6-9-23)21(24)22-13-19-15(2)7-10-27-19/h7,10-12,18H,5-6,8-9,13H2,1-4H3,(H,22,24)