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

Systemtic Name: 4-ethylsulfonyl-N-[(2-methylphenyl)-phenyl-methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[o-tolyl(phenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[(2-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[(2-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[o-tolyl(phenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C25H26N2O4S/c1-3-32(29,30)27-17-23(31-22-16-10-9-15-21(22)27)25(28)26-24(19-12-5-4-6-13-19)20-14-8-7-11-18(20)2/h4-16,23-24H,3,17H2,1-2H3,(H,26,28)