4-ethylsulfonyl-N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

Isomeric SMILES

CCC(C1=CC=C(C=C1)OC)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC

InChI

InChI=1S/C21H26N2O5S/c1-4-17(15-10-12-16(27-3)13-11-15)22-21(24)20-14-23(29(25,26)5-2)18-8-6-7-9-19(18)28-20/h6-13,17,20H,4-5,14H2,1-3H3,(H,22,24)