N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[4-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methyl-phenyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)N4CCCC4=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(C3=CC=CC=C3O2)S(=O)(=O)C)N4CCCC4=O

InChI

InChI=1S/C22H25N3O5S/c1-15-9-10-16(14-18(15)24-12-5-8-21(24)26)23-22(27)20-11-13-25(31(2,28)29)17-6-3-4-7-19(17)30-20/h3-4,6-7,9-10,14,20H,5,8,11-13H2,1-2H3,(H,23,27)