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

Systemtic Name: N,N-diethyl-3-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]benzamide Openeye Name: N,N-diethyl-3-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]benzamide CAS Name: N,N-diethyl-3-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]benzamide Traditional Name: N,N-diethyl-3-[3-(N-tosylanilino)propanoylamino]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-4-29(5-2)27(32)22-10-9-11-23(20-22)28-26(31)18-19-30(24-12-7-6-8-13-24)35(33,34)25-16-14-21(3)15-17-25/h6-17,20H,4-5,18-19H2,1-3H3,(H,28,31)