3-[[[4-(4-ethylphenyl)-4-oxidanylidene-butanoyl]amino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[[[4-(4-ethylphenyl)-4-oxidanylidene-butanoyl]amino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[[4-(4-ethylphenyl)-4-oxo-butanoyl]amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[4-(4-ethylphenyl)-1,4-dioxobutyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[4-(4-ethylphenyl)-4-keto-butanoyl]amino]carbamoyl]benzenesulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O5S/c1-2-19-11-13-21(14-12-19)24(30)15-16-25(31)28-29-26(32)22-9-6-10-23(17-22)35(33,34)27-18-20-7-4-3-5-8-20/h3-14,17,27H,2,15-16,18H2,1H3,(H,28,31)(H,29,32)