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

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzyl]-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H31N3O4S/c1-20-7-12-26-25(15-20)31(36(2,33)34)19-27(35-26)28(32)29-16-21-8-10-22(11-9-21)17-30-14-13-23-5-3-4-6-24(23)18-30/h3-12,15,27H,13-14,16-19H2,1-2H3,(H,29,32)