azepan-1-yl-[(2R)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone

Systemtic Name: azepan-1-yl-[(2R)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Openeye Name: azepan-1-yl-[(2R)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone CAS Name: 1-azepanyl-[(2R)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone IUPAC Name: azepan-1-yl-[(2R)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Traditional Name: azepan-1-yl-[(2R)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O4S/c25-22(23-14-8-1-2-9-15-23)21-16-24(19-12-6-7-13-20(19)28-21)29(26,27)17-18-10-4-3-5-11-18/h3-7,10-13,21H,1-2,8-9,14-17H2/t21-/m1/s1