N-[2-(1-phenylethylcarbamoyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(1-phenylethylcarbamoyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[oxo-(1-phenylethylamino)methyl]phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C31H29N3O5S MolecularWeight: 555.64406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O5S/c1-22(24-14-6-3-7-15-24)32-30(35)25-16-8-9-17-26(25)33-31(36)29-20-34(27-18-10-11-19-28(27)39-29)40(37,38)21-23-12-4-2-5-13-23/h2-19,22,29H,20-21H2,1H3,(H,32,35)(H,33,36)