4-tert-butyl-N-[3-[2-[(2-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[(2-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[2-[2-ethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[2-(2-ethyl-N-tosyl-anilino)acetyl]amino]phenyl]benzamide Formula: C34H37N3O4S MolecularWeight: 583.74028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C34H37N3O4S/c1-6-25-10-7-8-13-31(25)37(42(40,41)30-20-14-24(2)15-21-30)23-32(38)35-28-11-9-12-29(22-28)36-33(39)26-16-18-27(19-17-26)34(3,4)5/h7-22H,6,23H2,1-5H3,(H,35,38)(H,36,39)