N-(2-methyl-1,3-benzoxazol-5-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-(N-tosylanilino)propionamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC3=C(C=C2)OC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC3=C(C=C2)OC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S/c1-17-8-11-21(12-9-17)32(29,30)27(20-6-4-3-5-7-20)15-14-24(28)26-19-10-13-23-22(16-19)25-18(2)31-23/h3-13,16H,14-15H2,1-2H3,(H,26,28)