N-[(3-methylphenyl)-phenyl-methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[(3-methylphenyl)-phenyl-methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 5-methylsulfonyl-N-[m-tolyl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[(3-methylphenyl)-phenylmethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[(3-methylphenyl)-phenylmethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[m-tolyl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C25H26N2O4S/c1-18-9-8-12-20(17-18)24(19-10-4-3-5-11-19)26-25(28)23-15-16-27(32(2,29)30)21-13-6-7-14-22(21)31-23/h3-14,17,23-24H,15-16H2,1-2H3,(H,26,28)