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

Systemtic Name: 5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 5-methylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-(1-methyl-3-phenyl-propyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-16(12-13-17-8-4-3-5-9-17)22-21(24)20-14-15-23(28(2,25)26)18-10-6-7-11-19(18)27-20/h3-11,16,20H,12-15H2,1-2H3,(H,22,24)