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

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C30H28N2O4S2 MolecularWeight: 544.68432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H28N2O4S2/c1-22-18-24(20-37-25-12-6-3-7-13-25)16-17-26(22)31-30(33)29-19-32(27-14-8-9-15-28(27)36-29)38(34,35)21-23-10-4-2-5-11-23/h2-18,29H,19-21H2,1H3,(H,31,33)