N-methyl-N-(thiophen-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-(thiophen-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-(3-thienylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-(3-thiophenylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-(thiophen-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-methyl-N-(3-thenyl)isonipecotamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CSC=C3)C

InChI

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