6-tert-butyl-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[4-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[3-(2-ketopyrrolidino)-4-methyl-phenyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C)N4CCCC4=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C)N4CCCC4=O

InChI

InChI=1S/C25H31N3O5S/c1-16-8-10-18(14-19(16)27-12-6-7-23(27)29)26-24(30)22-15-28(34(5,31)32)20-13-17(25(2,3)4)9-11-21(20)33-22/h8-11,13-14,22H,6-7,12,15H2,1-5H3,(H,26,30)