4-ethylsulfonyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[2-(isobutylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[2-[(2-methylpropylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[2-(isobutylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCC(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCC(C)C

InChI

InChI=1S/C22H27N3O5S/c1-4-31(28,29)25-14-20(30-19-12-8-7-11-18(19)25)22(27)24-17-10-6-5-9-16(17)21(26)23-13-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)