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

Systemtic Name: 4-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-methylsulfonyl-N-[[3-(1-piperidylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-methylsulfonyl-N-[[3-(1-piperidinylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-methylsulfonyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-N-[3-(piperidinomethyl)benzyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC(=C3)CN4CCCCC4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC(=C3)CN4CCCCC4

InChI

InChI=1S/C23H29N3O4S/c1-31(28,29)26-17-22(30-21-11-4-3-10-20(21)26)23(27)24-15-18-8-7-9-19(14-18)16-25-12-5-2-6-13-25/h3-4,7-11,14,22H,2,5-6,12-13,15-17H2,1H3,(H,24,27)