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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC=CC(=C2)C(=O)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC=CC(=C2)C(=O)N(C)C)C3=CC=CC=C3

InChI

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