7-chloranyl-5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-(1-methyl-3-phenyl-propyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-(1-methyl-3-phenyl-propyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O4S/c1-15(8-9-16-6-4-3-5-7-16)23-21(25)20-12-13-24(29(2,26)27)18-14-17(22)10-11-19(18)28-20/h3-7,10-11,14-15,20H,8-9,12-13H2,1-2H3,(H,23,25)