[2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

InChI

InChI=1S/C22H25N3O6S2/c23-20(27)19-14-8-6-9-16(14)32-21(19)24-18(26)13-31-22(28)15-7-2-3-10-17(15)33(29,30)25-11-4-1-5-12-25/h2-3,7,10H,1,4-6,8-9,11-13H2,(H2,23,27)(H,24,26)