2-[2-[[3-bromanyl-2-(4-methylphenyl)sulfonyl-phenyl]amino]ethanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[[3-bromanyl-2-(4-methylphenyl)sulfonyl-phenyl]amino]ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-[3-bromo-2-(p-tolylsulfonyl)anilino]acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-[3-bromo-2-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-[3-bromo-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-(3-bromo-2-tosyl-anilino)acetyl]amino]-N-phenethyl-benzamide Formula: C30H28BrN3O4S MolecularWeight: 606.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2Br)NCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2Br)NCC(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H28BrN3O4S/c1-21-14-16-23(17-15-21)39(37,38)29-25(31)11-7-13-27(29)33-20-28(35)34-26-12-6-5-10-24(26)30(36)32-19-18-22-8-3-2-4-9-22/h2-17,33H,18-20H2,1H3,(H,32,36)(H,34,35)