N-ethyl-3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]benzamide

Systemtic Name: N-ethyl-3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]benzamide Openeye Name: N-ethyl-3-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]benzamide CAS Name: N-ethyl-3-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]benzamide IUPAC Name: N-ethyl-3-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]benzamide Traditional Name: N-ethyl-3-[3-(N-tosylanilino)propanoylamino]benzamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H27N3O4S/c1-3-26-25(30)20-8-7-9-21(18-20)27-24(29)16-17-28(22-10-5-4-6-11-22)33(31,32)23-14-12-19(2)13-15-23/h4-15,18H,3,16-17H2,1-2H3,(H,26,30)(H,27,29)