ethyl 1-(1-benzothiophen-2-ylsulfonyl)-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-benzothiophen-2-ylsulfonyl)-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(benzothiophen-2-ylsulfonyl)-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 1-(1-benzothiophen-2-ylsulfonyl)-4-(2-oxanylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzothiophen-2-ylsulfonyl)-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-(benzothiophen-2-ylsulfonyl)-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3S2)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3S2)CC4CCCCO4

InChI

InChI=1S/C22H29NO5S2/c1-2-27-21(24)22(16-18-8-5-6-14-28-18)10-12-23(13-11-22)30(25,26)20-15-17-7-3-4-9-19(17)29-20/h3-4,7,9,15,18H,2,5-6,8,10-14,16H2,1H3