3-oxidanylidene-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: 3-oxidanylidene-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: 3-oxo-N-[[2-(1-piperidylmethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-sulfonamide CAS Name: 3-oxo-N-[[2-(1-piperidinylmethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: 3-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[2-(piperidinomethyl)benzyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H25N3O4S/c25-21-15-28-20-9-8-18(12-19(20)23-21)29(26,27)22-13-16-6-2-3-7-17(16)14-24-10-4-1-5-11-24/h2-3,6-9,12,22H,1,4-5,10-11,13-15H2,(H,23,25)