[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c24-19(22-17-7-4-2-1-3-5-8-17)15-28-21(25)16-10-12-18(13-11-16)23-30(26,27)20-9-6-14-29-20/h6,9-14,17,23H,1-5,7-8,15H2,(H,22,24)