4-(phenylsulfonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-(phenylsulfonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[[4-(1-piperidylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[[4-(1-piperidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-besyl-N-[4-(piperidinomethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4S/c32-28(29-19-22-13-15-23(16-14-22)20-30-17-7-2-8-18-30)27-21-31(25-11-5-6-12-26(25)35-27)36(33,34)24-9-3-1-4-10-24/h1,3-6,9-16,27H,2,7-8,17-21H2,(H,29,32)