4-ethylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[(4-isopropoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-(4-isopropoxybenzyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H26N2O5S/c1-4-29(25,26)23-14-20(28-19-8-6-5-7-18(19)23)21(24)22-13-16-9-11-17(12-10-16)27-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)