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

Systemtic Name: 7-chloranyl-N-[(3-methylphenyl)-phenyl-methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-5-methylsulfonyl-N-[m-tolyl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[(3-methylphenyl)-phenylmethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[(3-methylphenyl)-phenylmethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[m-tolyl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C25H25ClN2O4S/c1-17-7-6-10-19(15-17)24(18-8-4-3-5-9-18)27-25(29)23-13-14-28(33(2,30)31)21-16-20(26)11-12-22(21)32-23/h3-12,15-16,23-24H,13-14H2,1-2H3,(H,27,29)