N-[4-[(2-butylsulfanylethanoylamino)carbamoyl]phenyl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[4-[(2-butylsulfanylethanoylamino)carbamoyl]phenyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[4-[[(2-butylsulfanylacetyl)amino]carbamoyl]phenyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[4-[[[2-(butylthio)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[4-[[(2-butylsulfanylacetyl)amino]carbamoyl]phenyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[4-[[[2-(butylthio)acetyl]amino]carbamoyl]phenyl]-4-ethoxy-benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCSCC(=O)NNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H27N3O5S2/c1-3-5-14-30-15-20(25)22-23-21(26)16-6-8-17(9-7-16)24-31(27,28)19-12-10-18(11-13-19)29-4-2/h6-13,24H,3-5,14-15H2,1-2H3,(H,22,25)(H,23,26)