4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylbutyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylbutyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(2-benzylbutyl)-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CNC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)C

InChI

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