3-(butylamino)-5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-2-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-(butylamino)-5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-2-(phenylmethyl)benzenesulfonamide Openeye Name: 2-benzyl-3-(butylamino)-5-[(E)-(2-oxoindolin-3-ylidene)methyl]benzenesulfonamide CAS Name: 3-(butylamino)-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-2-(phenylmethyl)benzenesulfonamide IUPAC Name: 2-benzyl-3-(butylamino)-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide Traditional Name: 2-benzyl-3-(butylamino)-5-[(E)-(2-ketoindolin-3-ylidene)methyl]benzenesulfonamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C=C2C3=CC=CC=C3NC2=O)S(=O)(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)/C=C/2\C3=CC=CC=C3NC2=O)S(=O)(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-2-3-13-28-24-16-19(15-21-20-11-7-8-12-23(20)29-26(21)30)17-25(33(27,31)32)22(24)14-18-9-5-4-6-10-18/h4-12,15-17,28H,2-3,13-14H2,1H3,(H,29,30)(H2,27,31,32)/b21-15+