N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32N2O5S/c1-33(2,3)26-18-16-24(17-19-26)31(36)25-12-9-13-27(20-25)34-32(37)30-21-35(28-14-7-8-15-29(28)40-30)41(38,39)22-23-10-5-4-6-11-23/h4-20,30H,21-22H2,1-3H3,(H,34,37)