1-methylsulfonyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-3-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-3-carboxamide Openeye Name: 1-methylsulfonyl-N-[3-(tetrahydrofuran-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-[3-[oxo-(2-oxolanylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[3-(oxolan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-3-carboxamide Traditional Name: 1-mesyl-N-[3-(tetrahydrofurfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]nipecotamide Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C21H31N3O5S2/c1-31(27,28)24-10-4-6-14(13-24)19(25)23-21-18(16-8-2-3-9-17(16)30-21)20(26)22-12-15-7-5-11-29-15/h14-15H,2-13H2,1H3,(H,22,26)(H,23,25)