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

Systemtic Name: 6-chloranyl-4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylbutyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-4-methylsulfonyl-N-[2-(phenylmethyl)butyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylbutyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(2-benzylbutyl)-6-chloro-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O4S/c1-3-15(11-16-7-5-4-6-8-16)13-23-21(25)20-14-24(29(2,26)27)18-12-17(22)9-10-19(18)28-20/h4-10,12,15,20H,3,11,13-14H2,1-2H3,(H,23,25)