N-(3-methyl-1-phenyl-butyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(3-methyl-1-phenylbutyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-(3-methyl-1-phenyl-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-15(2)13-17(16-9-5-4-6-10-16)22-21(24)20-14-23(28(3,25)26)18-11-7-8-12-19(18)27-20/h4-12,15,17,20H,13-14H2,1-3H3,(H,22,24)