N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[3-(1-azepanylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[3-(azepan-1-ylmethyl)benzyl]-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC(=C3)CN4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=CC(=C3)CN4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-19-10-11-23-22(14-19)28(33(2,30)31)18-24(32-23)25(29)26-16-20-8-7-9-21(15-20)17-27-12-5-3-4-6-13-27/h7-11,14-15,24H,3-6,12-13,16-18H2,1-2H3,(H,26,29)