ethyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[4-carbamoyl-4-(1-piperidyl)-1-piperidyl]sulfonyl]benzothiophene-2-carboxylate CAS Name: 3-[[4-carbamoyl-4-(1-piperidinyl)-1-piperidinyl]sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-(4-carbamoyl-4-piperidino-piperidino)sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4

InChI

InChI=1S/C22H29N3O5S2/c1-2-30-20(26)18-19(16-8-4-5-9-17(16)31-18)32(28,29)25-14-10-22(11-15-25,21(23)27)24-12-6-3-7-13-24/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H2,23,27)