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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O5S/c35-30(32-20-19-23-11-3-1-4-12-23)25-15-7-8-16-26(25)33-31(36)29-21-34(27-17-9-10-18-28(27)39-29)40(37,38)22-24-13-5-2-6-14-24/h1-18,29H,19-22H2,(H,32,35)(H,33,36)