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

Systemtic Name: methyl 3-(4-aminocarbonyl-4-piperidin-1-yl-piperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-29-19(25)17-18(15-7-3-4-8-16(15)30-17)31(27,28)24-13-9-21(10-14-24,20(22)26)23-11-5-2-6-12-23/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,22,26)