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

Systemtic Name: N-[(2-methylphenyl)-phenyl-methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[o-tolyl(phenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[(2-methylphenyl)-phenylmethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[(2-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[o-tolyl(phenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H28N2O4S/c1-22-12-8-9-17-25(22)29(24-15-6-3-7-16-24)31-30(33)28-20-32(26-18-10-11-19-27(26)36-28)37(34,35)21-23-13-4-2-5-14-23/h2-19,28-29H,20-21H2,1H3,(H,31,33)