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

Systemtic Name: 6-methyl-4-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-methyl-4-methylsulfonyl-N-[[4-(1-piperidylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-methyl-4-methylsulfonyl-N-[[4-(1-piperidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-methyl-4-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-6-methyl-N-[4-(piperidinomethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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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)CN4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C24H31N3O4S/c1-18-6-11-22-21(14-18)27(32(2,29)30)17-23(31-22)24(28)25-15-19-7-9-20(10-8-19)16-26-12-4-3-5-13-26/h6-11,14,23H,3-5,12-13,15-17H2,1-2H3,(H,25,28)