methyl (2S)-2-[[5-methyl-4-oxidanylidene-6-(phenylsulfonylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-methyl-4-oxidanylidene-6-(phenylsulfonylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[6-(benzenesulfonamido)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[6-(benzenesulfonamido)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[6-(benzenesulfonamido)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[6-(benzenesulfonamido)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)OC)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O6S/c1-16-19(28-35(31,32)18-11-7-4-8-12-18)13-14-20-22(16)24(30)34-25(26-20)27-21(23(29)33-2)15-17-9-5-3-6-10-17/h3-14,21,28H,15H2,1-2H3,(H,26,27)/t21-/m0/s1