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

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(phenylmethyl)sulfonyl-N-[4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C29H26N2O4S2 MolecularWeight: 530.65774

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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=C(C=C4)CSC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O4S2/c32-29(30-24-17-15-22(16-18-24)20-36-25-11-5-2-6-12-25)28-19-31(26-13-7-8-14-27(26)35-28)37(33,34)21-23-9-3-1-4-10-23/h1-18,28H,19-21H2,(H,30,32)