2-[2-[(4-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-[(4-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-[4-ethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzamide CAS Name: 2-[[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-(4-ethyl-N-tosyl-anilino)acetyl]amino]benzamide Formula: C31H31N3O4S MolecularWeight: 541.66054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H31N3O4S/c1-3-24-15-17-26(18-16-24)34(39(37,38)27-19-13-23(2)14-20-27)22-30(35)33-29-12-8-7-11-28(29)31(36)32-21-25-9-5-4-6-10-25/h4-20H,3,21-22H2,1-2H3,(H,32,36)(H,33,35)