4-methyl-N-[(4-thiophen-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 4-methyl-N-[(4-thiophen-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Openeye Name: 4-methyl-N-[[4-(2-thienyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide CAS Name: 4-methyl-N-[(4-thiophen-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide IUPAC Name: 4-methyl-N-[(4-thiophen-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Traditional Name: 4-methyl-N-[4-(2-thienyl)benzyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)C4=CC=CS4

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C20H20N2O3S2/c1-22-10-11-25-19-13-17(8-9-18(19)22)27(23,24)21-14-15-4-6-16(7-5-15)20-3-2-12-26-20/h2-9,12-13,21H,10-11,14H2,1H3