3-[(2-tert-butylsulfanylethanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[(2-tert-butylsulfanylethanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[(2-tert-butylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[2-(tert-butylthio)-1-oxoethyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[(2-tert-butylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[2-(tert-butylthio)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SCC(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4S2/c1-20(2,3)28-14-18(24)22-23-19(25)16-10-7-11-17(12-16)29(26,27)21-13-15-8-5-4-6-9-15/h4-12,21H,13-14H2,1-3H3,(H,22,24)(H,23,25)