7-chloranyl-5-methylsulfonyl-N-[2-(phenylmethyl)butyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-5-methylsulfonyl-N-[2-(phenylmethyl)butyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-(2-benzylbutyl)-7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-5-methylsulfonyl-N-[2-(phenylmethyl)butyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-(2-benzylbutyl)-7-chloro-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-(2-benzylbutyl)-7-chloro-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CNC(=O)C2CCN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H27ClN2O4S/c1-3-16(13-17-7-5-4-6-8-17)15-24-22(26)21-11-12-25(30(2,27)28)19-14-18(23)9-10-20(19)29-21/h4-10,14,16,21H,3,11-13,15H2,1-2H3,(H,24,26)