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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCSCC(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

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