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3-[(hexanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide

3-[(hexanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name:3-[(hexanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide
Openeye Name:N-benzyl-3-[(hexanoylamino)carbamoyl]benzenesulfonamide
CAS Name:3-[oxo-(1-oxohexylhydrazo)methyl]-N-(phenylmethyl)benzenesulfonamide
IUPAC Name:N-benzyl-3-[(hexanoylamino)carbamoyl]benzenesulfonamide
Traditional Name:N-benzyl-3-[(caproylamino)carbamoyl]benzenesulfonamide
Formula: C20H25N3O4S
MolecularWeight: 403.4952
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H25N3O4S/c1-2-3-5-13-19(24)22-23-20(25)17-11-8-12-18(14-17)28(26,27)21-15-16-9-6-4-7-10-16/h4,6-12,14,21H,2-3,5,13,15H2,1H3,(H,22,24)(H,23,25)


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