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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-20-10-16-24(17-11-20)35(33,34)30(23-8-6-5-7-9-23)19-18-25(31)28-22-14-12-21(13-15-22)26(32)29-27(2,3)4/h5-17H,18-19H2,1-4H3,(H,28,31)(H,29,32)