[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C20H26N2O5S2/c1-3-4-5-9-15(2)21-18(23)14-27-20(24)16-10-6-7-11-17(16)22-29(25,26)19-12-8-13-28-19/h6-8,10-13,15,22H,3-5,9,14H2,1-2H3,(H,21,23)