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

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

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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)CN4CCCCCC4

Isomeric SMILES

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

InChI

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